SCHEMBL1540134

SCHEMBL1540134

Cc1nc(NOC(=O)OCc2ccccc2)sc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
TSHR P16473 1/20 0.61
NPC1 O15118 6/20 0.57
CSNK1D P48730 2/20 0.51
PKM P14618 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
PDE5A O76074 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CYP2C9 P11712 1/20 0.44
SCD O00767 1/20 0.44

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
SCHEMBL1539968 0.90 RAB9A (0.67) RAB9ASMN1; SMN2TSHRNPC1CSNK1D
SCHEMBL5666037 0.78 TSHR (0.54) RAB9ASMN1; SMN2TSHRNPC1MEN1
Hydrochloric Acid SCHEMBL5665010 0.77 TSHR (0.53) RAB9ASMN1; SMN2TSHRNPC1MEN1
SCHEMBL10016586 0.76 RAB9A (1.00) RAB9ASMN1; SMN2TSHRNPC1CSNK1D
SCHEMBL15634098 0.76 CSNK1D (0.79) RAB9ASMN1; SMN2TSHRNPC1CSNK1D
SCHEMBL4919866 0.75 NPC1 (0.75) RAB9ASMN1; SMN2TSHRNPC1CSNK1D
SCHEMBL1540081 0.74 LCK (0.43) RAB9ASMN1; SMN2TSHRNPC1PKM
Hydrochloric Acid SCHEMBL8555706 0.74 NPC1 (0.73) RAB9ASMN1; SMN2TSHRNPC1CSNK1D
Hydrochloric Acid SCHEMBL1539904 0.73 LCK (0.42) RAB9ASMN1; SMN2TSHRNPC1PKM
SCHEMBL525062 0.73 NPC1 (1.00) RAB9ASMN1; SMN2TSHRNPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-07-11 US disclosed
US-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-18 US disclosed
EP-3222619-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Holdings Ireland (CH) 2017-09-27 EP disclosed
US-20160264537-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-09-15 US disclosed
US-9382219-B2 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-05 US disclosed
US-20150158830-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-06-11 US disclosed
US-8993567-B2 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-31 US disclosed
US-20140206691-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
US-8716323-B2 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-06 US disclosed
EP-1169038-B9 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-07-10 EP disclosed
US-20050261305-A1 Reacting 4-(2-hydroxyethyl)piperazine and 2-((2-methyl,6-chloro-pyrimidin-4-yl)-amino),5-(2-chloro,6-methyl-phenyl)thiazole to obtain 2-((2-hydroxyethyl)piperazin-4-yl)-(2-methylpyrimidin-6,4-ylene)amino-),5-(2-chloro,6-methyl-phenyl)thiazole; antiarthritic,-tumor, -carcinogentic agents; immunology DAS JAGABANDHU 2005-11-24 US disclosed
EP-1169038-A4 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP disclosed
WO-2004085388-A2 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-10-07 WO disclosed
US-20040077875-A1 (5-(((2,4,6-Trimethylphenyl)amino)carbonyl)-4-methyl-2 -thiazolyl)carbamic Acid, 1,1-dimethylethyl ester for example; treating immunological and oncological disorders such as inflammatory bowel disease or cancer DAS JAGABANDHU (US) 2004-04-22 US disclosed
US-20040073026-A1 Autoimmune diseases; anticancer agents DAS JAGABANDHU (US) 2004-04-15 US disclosed
US-20040054186-A1 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-18 US disclosed
US-20040024208-A1 Drugs such as (5-(((2,4,6-Trimethylphenyl)amino)carbonyl)-4-methyl-2-thiazolyl)carbamic acid, 1,1-dimethylethyl ester, used as enzyme inhibitors, for prohylaxis of inflammatory bowel disease; modulation of immunology DAS JAGABANDHU (US) 2004-02-05 US disclosed
US-6596746-B1 protein tyrosine kinase-associated disorders such as immunologic and oncologic disorders; dasatinib BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 US disclosed
EP-1169038-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-09 EP disclosed
WO-2000062778-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB CO. (US) 2000-10-26 WO 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-20150158830-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK RAB9A 1877/4885SMN1; SMN2 3827/4885TSHR 1915/4885
US-20040073026-A1 Autoimmune diseases; anticancer agents LCK, SSB, JAK1 RAB9A 1269/4885SMN1; SMN2 3879/4885TSHR 1306/4885
US-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK RAB9A 1877/4885SMN1; SMN2 3827/4885TSHR 1915/4885
US-20040077875-A1 (5-(((2,4,6-Trimethylphenyl)amino)carbonyl)-4-methyl-2 -thiazolyl)carbamic Acid, 1,1-dimethylethyl ester for example; treating immunological and oncological disorders such as inflammatory bowel disease or cancer JAK1, LCK, MERTK RAB9A 2781/4885SMN1; SMN2 3468/4885TSHR 2870/4885
US-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK RAB9A 1877/4885SMN1; SMN2 3827/4885TSHR 1915/4885
US-20040024208-A1 Drugs such as (5-(((2,4,6-Trimethylphenyl)amino)carbonyl)-4-methyl-2-thiazolyl)carbamic acid, 1,1-dimethylethyl ester, used as enzyme inhibitors, for prohylaxis of inflammatory bowel disease; modulation of immunology TPMT, JAK1, CHUK RAB9A 3143/4885SMN1; SMN2 4666/4885TSHR 2575/4885
US-20140206691-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK RAB9A 1877/4885SMN1; SMN2 3827/4885TSHR 1915/4885
US-20160264537-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK RAB9A 1877/4885SMN1; SMN2 3827/4885TSHR 1915/4885
US-20050261305-A1 Reacting 4-(2-hydroxyethyl)piperazine and 2-((2-methyl,6-chloro-pyrimidin-4-yl)-amino),5-(2-chloro,6-methyl-phenyl)thiazole to obtain 2-((2-hydroxyethyl)piperazin-4-yl)-(2-methylpyrimidin-6,4-ylene)amino-),5-(2-chloro,6-methyl-phenyl)thiazole; antiarthritic,-tumor, -carcinogentic agents; immunology JAK2, JAK1, TYK2 RAB9A 4271/4885SMN1; SMN2 3536/4885TSHR 1358/4885
US-20040054186-A1 Cyclic protein tyrosine kinase inhibitors LCK, ABL1, BTK RAB9A 1877/4885SMN1; SMN2 3827/4885TSHR 1915/4885

“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.