SCHEMBL10137597

SCHEMBL10137597

CN1CC(=O)CC1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.40
ANPEP P15144 3/20 0.40
ACE P12821 1/20 0.35
TSHR P16473 2/20 0.33
ITGB1 P05556 2/20 0.33
ITGA5 P08648 2/20 0.33
DRD5 P21918 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 2/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA4 P13612 1/20 0.31
ATM Q13315 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL13688455 1.00 MMP2 (0.40) MMP2ANPEPACETSHRITGB1
SCHEMBL12401915 0.83 MMP2 (0.40) MMP2ANPEPTSHRDPP4DPP8
SCHEMBL21515905 0.83 MMP2 (0.40) MMP2ANPEPTSHRDPP4DPP8
SCHEMBL29180225 0.79 ACE (0.38) ACETSHRALDH1A1MAPK1
SCHEMBL17995261 0.79 DRD5 (0.40) MMP2ANPEPACETSHRITGB1
SCHEMBL17973099 0.78 MMP2 (0.60) MMP2ANPEPALDH1A1
SCHEMBL14569838 0.78 MMP2 (0.37) MMP2ANPEPTSHRMAPTDPP4
SCHEMBL13403397 0.78 MMP2 (0.60) MMP2ANPEPALDH1A1
SCHEMBL2691165 0.78 MMP2 (0.60) MMP2ANPEPALDH1A1
SCHEMBL17826327 0.78 MMP2 (0.37) MMP2ANPEPTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116096709-A Novel heterocyclic antibiotics 豪夫迈·罗氏有限公司 2023-05-09 CN disclosed
CN-105848685-B Peptide mimetic compounds and antibody drug conjugates thereof 健泰科生物技术公司 2020-09-22 CN disclosed
US-20170097567-A1 METHOD FOR PRODUCING POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-04-06 US disclosed
US-20160229940-A1 POLYMER, RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-7300929-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2007-11-27 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 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 (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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP MMP2 425/4885ANPEP 22/4885ACE 42/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP MMP2 425/4885ANPEP 22/4885ACE 42/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP MMP2 425/4885ANPEP 22/4885ACE 42/4885

“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.