SCHEMBL501228

SCHEMBL501228

[c]1nccc(-c2ccsc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.39
CYP2B6 P20813 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 2/20 0.38
CYP2E1 P05181 2/20 0.38
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP17A1 P05093 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
FYN P06241 1/20 0.35
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
IKBKB O14920 1/20 0.34
BACE1 P56817 1/20 0.33
AR P10275 1/20 0.33
CCNB2 O95067 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1832864 0.75 LMNA (0.43) CYP3A4CYP2C9CYP2C19NPC1AR
SCHEMBL12004479 0.72 HCAR2 (0.33)
SCHEMBL990826 0.71
SCHEMBL5541060 0.69 CYP2A6 (0.42) CYP2A6CYP2B6CYP3A4CYP2C9CYP2C19
SCHEMBL16720342 0.69 KDM4A (0.40) CYP3A4CYP2C19NPC1ADORA3
SCHEMBL3597375 0.68 RAB9A (0.41) NPC1AR
SCHEMBL679601 0.68 CYP2A6 (0.41) CYP2A6CYP2B6CYP3A4CYP2C9CYP2C19
SCHEMBL990825 0.68 CYP2A6 (0.39) CYP2A6CYP3A4CYP11B1
SCHEMBL1445303 0.67 CYP11B1 (0.44) CYP2A6CYP2B6CYP3A4CYP2C9CYP2C19
SCHEMBL31615118 0.67 CYP11B1 (0.44) CYP2A6CYP2B6CYP3A4CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264433-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES 2006-11-23 US claimed
US-20230002323-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES KREOS CAPITAL VII (UK) LIMITED (GB) 2023-01-05 US disclosed
EP-4026829-A1 PROCESS FOR PREPARING N-[[5-(3-CHLOROPHENYL)-3-HYDROXY-2-PYRIDINYL]CARBONYL]-GLYCINE FROM 5-(3-CHLOROPHENYL)-3-HYDROXY-2-PYRIDINE CARBOXYLIC ACID Akebia Therapeutics Inc. (US) 2022-07-13 EP disclosed
US-11267785-B2 Process for preparing [(3-hydroxypyridine-2-carbonyl)amino]alkanoic acids, esters and amides AKEBIA THERAPEUTICS, INC. (US) 2022-03-08 US disclosed
EP-3683209-B1 PROCESS FOR PREPARING [(5-(3-CHLOROPHENYL)-3-HYDROXYPYRIDINE-2-CARBONYL)-AMINO]ACETIC ACID FROM 5-((3-CHLOROPHENYL)-3-CHLORO-PYRIDIN-2-YL)-NITRILE, AND PROCESS FOR PREPARING 5-((HALOPHENYL)-3-HALO-PYRIDIN-2-YL)-NITRILE DERIVATIVES AKEBIA THERAPEUTICS INC (US) 2021-11-10 EP disclosed
US-20210122715-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES KREOS CAPITAL VII (UK) LIMITED (GB) 2021-04-29 US disclosed
US-10738010-B2 Process for preparing [(3-hydroxypyridine-2-carbonyl)amino] alkanoic acids, esters and amides AKEBIA THERAPEUTICS, INC. (US) 2020-08-11 US disclosed
EP-3683209-A1 PROCESS FOR PREPARING [(5-(3-CHLOROPHENYL)-3-HYDROXYPYRIDINE-2-CARBONYL)-AMINO]ACETIC ACID FROM 5-((3-CHLOROPHENYL)-3-CHLORO-PYRIDIN-2-YL)-NITRILE, AND PROCESS FOR PREPARING 5-((HALOPHENYL)-3-HALO-PYRIDIN-2-YL)-NITRILE DERIVATIVES Akebia Therapeutics Inc. (US) 2020-07-22 EP disclosed
US-10246416-B2 Process for preparing [(3-hydroxypyridine-2-carbonyl)amino] alkanoic acids, esters and amides AKEBIA THERAPEUTICS, INC. (US) 2019-04-02 US disclosed
EP-3293182-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE Aerpio Therapeutics, Inc. (US) 2018-03-14 EP disclosed
US-8329916-B2 Human protein tyrosine phosphatase inhibitors and method of use AERPIO THERAPEUTICS INC. (US) 2012-12-11 US disclosed
US-20120309977-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES AKEBIA THERAPEUTICS INC. (US) 2012-12-06 US disclosed
US-20120077975-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHOD OF USE EyePoint Pharmaceuticals, Inc. 2012-03-29 US disclosed
US-8106078-B2 Human protein tyrosine phosphatase inhibitors and methods of use WARNER CHILCOTT COMPANY, LLC (US) 2012-01-31 US disclosed
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2011-09-01 US disclosed
US-7795444-B2 Human protein tyrosine phosphatase inhibitors and methods of use Warner Chilcott Company (US) 2010-09-14 US disclosed
EP-2038265-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE The Procter and Gamble Company (US) 2009-03-25 EP disclosed
WO-2008002570-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 US disclosed
US-20060264433-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES 2006-11-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10738010-B2 Process for preparing [(3-hydroxypyridine-2-carbonyl)amino] alkanoic acids, esters and amides HPD, APEH, P4HA1 CYP2A6 30/4885CYP2B6 47/4885CYP3A4 170/4885
US-20210122715-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES HPD, APEH, P4HA1 CYP2A6 30/4885CYP2B6 47/4885CYP3A4 170/4885
US-20120077975-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHOD OF USE PTPRCAP, PPP5C, PTPRO CYP2A6 4658/4885CYP2B6 4750/4885CYP3A4 4778/4885
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C CYP2A6 4777/4885CYP2B6 4822/4885CYP3A4 4826/4885
US-20060264433-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CYP2A6 2151/4885CYP2B6 2070/4885CYP3A4 663/4885
US-11267785-B2 Process for preparing [(3-hydroxypyridine-2-carbonyl)amino]alkanoic acids, esters and amides HPD, APEH, P4HA1 CYP2A6 30/4885CYP2B6 47/4885CYP3A4 170/4885
US-20230002323-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES HPD, APEH, P4HA1 CYP2A6 30/4885CYP2B6 47/4885CYP3A4 170/4885
US-10246416-B2 Process for preparing [(3-hydroxypyridine-2-carbonyl)amino] alkanoic acids, esters and amides HPD, APEH, P4HA1 CYP2A6 30/4885CYP2B6 47/4885CYP3A4 170/4885
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use PTPRCAP, PTPRC, PPP5C CYP2A6 4777/4885CYP2B6 4822/4885CYP3A4 4826/4885
US-20120309977-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES HPD, APEH, ALDH7A1 CYP2A6 30/4885CYP2B6 59/4885CYP3A4 184/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.