SCHEMBL1644746

SCHEMBL1644746

Cc1ccccc1N(CC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.44
TP53 P04637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 1/20 0.37
HCRTR1 O43613 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6257485 0.85 AKR1B1 (0.39) MEN1KMT2ACYP3A4TDP1CYP2C19
SCHEMBL12117477 0.85 CYP3A4 (0.54) TRPM8TP53MEN1KMT2ACYP3A4
SCHEMBL30443001 0.85 CYP3A4 (0.54) TRPM8TP53MEN1KMT2ACYP3A4
SCHEMBL29943820 0.84 BCL2A1 (0.39) TP53MEN1KMT2ATDP1POLB
SCHEMBL4832843 0.84 BCL2A1 (0.39) TP53MEN1KMT2ATDP1POLB
SCHEMBL2921603 0.84 NPSR1 (0.39) MEN1KMT2ACYP3A4TDP1NPSR1
SCHEMBL4832911 0.84 LMNA (0.41) LMNAALDH1A1TDP1POLBCYP2C19
SCHEMBL4842133 0.83 SMN1; SMN2 (0.38) TDP1NPSR1CYP2C19HIF1AL3MBTL1
SCHEMBL4841484 0.83 KMT2A (0.43) TP53MEN1KMT2ALMNATDP1
SCHEMBL4031047 0.82 TRPM8 (0.44) TRPM8TP53MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305250-B1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUTICS LTD (GB) 2014-03-26 EP disclosed
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2014-01-09 US disclosed
EP-1648426-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2014-01-08 EP disclosed
US-20120101143-A1 Compounds Having Activity in Increasing Ion Transport by Mutant-CFTR and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-04-26 US disclosed
US-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2011-09-15 US disclosed
US-7977477-B2 Benzimidazole derivatives and their use as protein kinase inhibitors ASTEX THERAPEUTICS, LIMITED (GB) 2011-07-12 US disclosed
US-7939558-B2 Compounds having activity in increasing ion transport by mutant-CFTR and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-10 US disclosed
EP-2305250-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2011-04-06 EP disclosed
US-20080319008-A1 Compounds Having Activity in Increasing Ion Transport by Mutant-Cftr and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 US disclosed
EP-1765347-A4 COMPOUNDS HAVING ACTIVITY IN INCREASING ION TRANSPORT BY MUTANT-CFTR AND USES THEREOF UNIV CALIFORNIA (US) 2008-10-01 EP disclosed
EP-1289950-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
EP-1289972-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-6784182-B2 AND FACTOR XA INHIBITORS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY 2004-08-31 US disclosed
US-20040142963-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-6649606-B1 Treating inflammatory diseases BRISTOL-MYERS SQUIBB CO. 2003-11-18 US disclosed
US-20030109706-A1 Serine pretease inhibitors ELI LILLY AND COMPANY 2003-06-12 US disclosed
WO-2003041641-A2 TETRAHYDROISOQUINOLINE ANALOGS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-22 WO disclosed
US-20030078438-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2003-04-24 US disclosed
US-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 US disclosed
US-20020151724-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2002-10-17 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 (9 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-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 TRPM8 4563/4885TP53 408/4885MEN1 1818/4885
US-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 TRPM8 3969/4885TP53 2550/4885MEN1 3582/4885
US-20030109706-A1 Serine pretease inhibitors PRSS1, SERPINE1, HPN TRPM8 3675/4885TP53 4519/4885MEN1 1712/4885
US-20030078438-A1 Serine protease inhibitors HPN, LPXN, PRSS1 TRPM8 4027/4885TP53 4284/4885MEN1 3220/4885
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 TRPM8 4563/4885TP53 408/4885MEN1 1818/4885
US-20080319008-A1 Compounds Having Activity in Increasing Ion Transport by Mutant-Cftr and Uses Thereof CFTR, ABCC9, SLC26A4 TRPM8 232/4885TP53 2168/4885MEN1 4502/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 TRPM8 4280/4885TP53 4473/4885MEN1 1959/4885
US-20020151724-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 TRPM8 4280/4885TP53 4473/4885MEN1 1959/4885
US-20120101143-A1 Compounds Having Activity in Increasing Ion Transport by Mutant-CFTR and Uses Thereof CFTR, ABCC9, ABCB11 TRPM8 237/4885TP53 2185/4885MEN1 4503/4885

“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.