SCHEMBL994016

SCHEMBL994016

CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.41
MTOR P42345 1/20 0.40
NR4A2 P43354 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
GAA P10253 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ATM Q13315 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2D6 P10635 1/20 0.37
SRC P12931 1/20 0.37
HTT P42858 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL1096718 1.00 MMP13 (0.41) MMP13MTORNR4A2CTSSCTSK
SCHEMBL1096720 1.00 MMP13 (0.41) MMP13MTORNR4A2CTSSCTSK
SCHEMBL15723420 0.88 SRC (0.36) MMP13CTSSCTSKL3MBTL1SRC
SCHEMBL26409828 0.88 TRPM8 (0.44) MMP13MTORCTSSCTSKGAA
SCHEMBL20556352 0.88 SRC (0.36) MMP13CTSSCTSKL3MBTL1SRC
SCHEMBL25169590 0.86 TXNRD1 (0.36) MMP13CTSSCTSKGAAHTT
SCHEMBL1096980 0.86 KMT2A (0.47) MMP13MTORCTSSCTSKNR1H2
SCHEMBL25169591 0.86 TXNRD1 (0.36) MMP13CTSSCTSKGAAHTT
SCHEMBL1096979 0.86 KMT2A (0.47) MMP13MTORCTSSCTSKNR1H2
SCHEMBL30466250 0.85 NPSR1 (0.42) MMP13L3MBTL1

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
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
WO-2023078410-A1 COMPOUND HAVING ACTIVITY OF DEGRADING GSPT1 AND APPLICATION THEREOF 上海美志医药科技有限公司 2023-05-11 WO disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed
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
WO-2011011483-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-01-27 WO 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
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
EP-1765347-A2 COMPOUNDS HAVING ACTIVITY IN INCREASING ION TRANSPORT BY MUTANT-CFTR AND USES THEREOF The Regents of the University of California (US) 2007-03-28 EP disclosed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
WO-2005120497-A2 COMPOUNDS HAVING ACTIVITY IN INCREASING ION TRANSPORT BY MUTANT-CFTR AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-22 WO disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
US-6649606-B1 Treating inflammatory diseases BRISTOL-MYERS SQUIBB CO. 2003-11-18 US disclosed
WO-2003041641-A2 TETRAHYDROISOQUINOLINE ANALOGS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-22 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 (3 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-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 MMP13 4015/4885MTOR 269/4885NR4A2 4078/4885
US-20080319008-A1 Compounds Having Activity in Increasing Ion Transport by Mutant-Cftr and Uses Thereof CFTR, ABCC9, SLC26A4 MMP13 3547/4885MTOR 2725/4885NR4A2 4425/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 MMP13 3961/4885MTOR 187/4885NR4A2 2905/4885

“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.