SCHEMBL5220478

SCHEMBL5220478

CC(C)c1nc(N)sc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
ALDH1A1 P00352 6/20 0.41
COPS5 Q92905 4/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL12292832 0.85 ALDH1A1 (0.41) PKMALDH1A1COPS5MAPTCYP1A2
SCHEMBL18176042 0.84 FBP1 (0.43) PKMALDH1A1COPS5MAPTCYP1A2
SCHEMBL11316972 0.82 ALDH1A1 (0.37) PKMALDH1A1COPS5MAPTCYP1A2
SCHEMBL13068462 0.81 ALDH1A1 (0.37) PKMALDH1A1COPS5MAPTCYP1A2
SCHEMBL2624097 0.80 KDM4E (0.42) PKMALDH1A1MAPTCYP1A2NPC1
SCHEMBL11324056 0.80 ALDH1A1 (0.44) ALDH1A1MAPTCYP1A2NPC1RAB9A
SCHEMBL9644143 0.78 PKM (0.40) PKMALDH1A1CYP1A2NPC1RAB9A
SCHEMBL9372680 0.78 ALDH1A1 (0.41) PKMALDH1A1MAPTNPC1RAB9A
SCHEMBL9643967 0.77 ALDH1A1 (0.58) PKMALDH1A1COPS5MAPTNPC1
SCHEMBL9644022 0.77 PKM (0.39) PKMALDH1A1RAB9ATSHRHPGD

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108084111-A A kind of synthetic method of aminated compounds of the pharmaceutical intermediate containing sulfur nitrogen heterocycle 北京六合宁远科技有限公司 2018-05-29 CN disclosed
EP-2532662-B1 SYNTHESIS PROCESS OF DASATINIB AND INTERMEDIATE THEREOF NANJING CAVENDISH BIO ENGINEERING TECHNOLOGY CO LTD (CN) 2016-01-27 EP disclosed
US-9108954-B2 Synthesis process of dasatinib and intermediate thereof NAN JING CAVENDISH BIO-ENGINEERING TECHNOLOGY CO., LTD. (CN) 2015-08-18 US disclosed
CN-101959882-B Imidazole carbonyl compound DAIICHI SANKYO CO LTD 2013-09-11 CN disclosed
US-20130030177-A1 SYNTHESIS PROCESS OF DASATINIB AND INTERMEDIATE THEREOF Nan Jing Cavendish Bio-Engineering Technology Co. Ltd. (CN) 2013-01-31 US disclosed
EP-2532662-A1 SYNTHESIS PROCESS OF DASATINIB AND INTERMEDIATE THEREOF Nanjing Cavendish Bio-Engineering Technology Co., Ltd. (CN) 2012-12-12 EP disclosed
CN-101959882-A Imidazole carbonyl compound DAIICHI SANKYO CO LTD 2011-01-26 CN disclosed
EP-1525193-B1 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-12-26 EP disclosed
EP-1525193-A2 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-04-27 EP disclosed
WO-2004009565-A2 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2004-01-29 WO disclosed
US-4602937-A PLANT SAFENING AGENTS, ACETAMIDE HERBICIDE MONSANTO COMPANY (US) 1986-07-29 US disclosed
US-4602454-A PLANT SAFENING AGENTS, SEEDS CHLOROACETAMIDE HERBICIDES MONSANTO COMPANY (US) 1986-07-29 US disclosed
US-4437876-A PLANT SAFENING AGENTS FOR ACETAMIDE HERBICIDES MONSANTO COMPANY (US) 1984-03-20 US disclosed
US-4437875-A PLANT SAFENING AGENT FOR ACETAMIDE HERBICIDE MONSANTO COMPANY (US) 1984-03-20 US disclosed
US-4199506-A REDUCES HERBICIDAL INJURY TO PLATNS DUE TO ACETAMIDE HERBICIDES MONSANTO COMPANY (US) 1980-04-22 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 (1 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-20130030177-A1 SYNTHESIS PROCESS OF DASATINIB AND INTERMEDIATE THEREOF ABL1, YES1, ABL2 PKM 1740/4885ALDH1A1 1094/4885COPS5 1421/4885

“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.