SCHEMBL2448816

SCHEMBL2448816

COc1cc(F)ccc1C=CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.58
CTSB P07858 2/20 0.58
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
AR P10275 1/20 0.53
KDM4E B2RXH2 3/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
APP P05067 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TDO2 P48775 1/20 0.50
RELA Q04206 1/20 0.50
TFEB P19484 1/20 0.50

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
SCHEMBL2448813 1.00 CTSL (0.58) CTSLCTSBMAPTALDH1A1MEN1
SCHEMBL16815420 0.89 KDM4E (0.57) MAPTALDH1A1ARKDM4EGAA
SCHEMBL16815421 0.89 KDM4E (0.57) MAPTALDH1A1ARKDM4EGAA
SCHEMBL16585440 0.83 CTSL (0.54) CTSLCTSBMAPTALDH1A1MEN1
SCHEMBL16585442 0.83 CTSL (0.54) CTSLCTSBMAPTALDH1A1MEN1
SCHEMBL9222741 0.82 ALDH1A1 (0.63) CTSLCTSBMAPTALDH1A1MEN1
SCHEMBL8573282 0.82 ALDH1A1 (0.63) CTSLCTSBMAPTALDH1A1MEN1
SCHEMBL1171573 0.82 APP (0.74) CTSLCTSBMAPTALDH1A1MEN1
SCHEMBL79457 0.82 MAPT (0.79) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL29449851 0.82 MAPT (0.79) MAPTALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190201404-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2019-07-04 US disclosed
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-05-07 US disclosed
EP-2914613-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-22 EP disclosed
US-20170216293-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-08-03 US disclosed
US-9670227-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-06-06 US disclosed
US-9598433-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 US disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 US disclosed
EP-2909205-B1 9-METHYL SUBSTITUTED HEXADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINYL CARBAMATE DERIVATIVES AS NON-STRUCTURAL 3 (NS3) PROTEASE INHIBITORS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS BRISTOL MYERS SQUIBB CO (US) 2016-11-23 EP disclosed
US-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 US disclosed
EP-2705049-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-19 EP disclosed
WO-2014070964-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-08 WO disclosed
WO-2014062196-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 WO disclosed
EP-2705049-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2014-03-12 EP disclosed
US-20130115190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-05-09 US disclosed
WO-2012151195-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-08 WO disclosed
US-8017646-B2 e.g. 1-{3-[3-(3,4-dimethoxyphenyl)propoxy]propyl}pyrrolidine; neurodegenerative disorders, antidepressant, antidiabetic, hypotensive agent, cognition activator; BIOPROJET (FR) 2011-09-13 US disclosed
US-20080182876-A1 Histamine H3-Receptor Ligands and Their Therapeutic Application BIOPROJET (FR) 2008-07-31 US disclosed
EP-1874747-A1 HISTAMINE H3-RECEPT0R LIGANDS AND THEIR THERAPEUTIC APPLICATION BIOPROJET (FR) 2008-01-09 EP disclosed
WO-2006117611-A1 HISTAMINE H3-RECEPT0R LIGANDS AND THEIR THERAPEUTIC APPLICATION BIOPROJET (FR) 2006-11-09 WO disclosed
EP-1717233-A1 Histamine H3-receptor ligands and their therapeutic application BIOPROJET (FR) 2006-11-02 EP 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 (5 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-20170216293-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 CTSL 3798/4885CTSB 3014/4885MAPT 2702/4885
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them TYMS, TYMP, TPX2 CTSL 3798/4885CTSB 3014/4885MAPT 2702/4885
US-20190201404-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 CTSL 3798/4885CTSB 3014/4885MAPT 2702/4885
US-20130115190-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 CTSL 575/4885CTSB 654/4885MAPT 4174/4885
US-20080182876-A1 Histamine H3-Receptor Ligands and Their Therapeutic Application HRH3, HRH4, HRH1 CTSL 2474/4885CTSB 1082/4885MAPT 372/4885

“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.