SCHEMBL317796

SCHEMBL317796

CC(C)C(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
GAA P10253 3/20 0.52
KDM4E B2RXH2 2/20 0.52
RECQL P46063 2/20 0.52
DBH P09172 1/20 0.52
HSD17B10 Q99714 2/20 0.48
KMO O15229 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
UNG P13051 1/20 0.47
DAO P14920 1/20 0.46
TSHR P16473 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.46

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
Hydrochloric Acid SCHEMBL316843 0.98 GAA (0.50) CA12CA1CA2CA6CA9
SCHEMBL7945435 0.91 GAA (0.59) GAAKDM4ERECQLDBHHSD17B10
SCHEMBL8875628 0.86 CA12 (0.50) CA12CA1CA2CA6CA9
SCHEMBL12158550 0.84 ATM (0.69) GAAKDM4ERECQLDBHHSD17B10
SCHEMBL10050728 0.83 GAA (0.52) GAAKDM4ERECQLDBHHSD17B10
Isophthalic Acid SCHEMBL28730801 0.83 CA12 (0.56) CA12CA1CA2CA6CA9
SCHEMBL23476588 0.82 KDM4E (0.48) CA12CA1CA2CA6CA9
SCHEMBL13921549 0.82 KDM4E (0.48) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL30529662 0.82 CA12 (0.65) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL20500514 0.82 CA12 (0.71) CA12CA1CA2CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104507928-A Heterocyclic modulators of lipid synthesis 3 V BIOSCIENCES INC 2015-04-08 CN disclosed
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-8093241-B2 Acid amide derivatives, process for their production and pesticides containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-01-10 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-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7276484-B2 Dipeptide inhibitors of β-secretase ELAN PHARMACEUTICALS, INC. (US) 2007-10-02 US disclosed
US-7276484-B2 Dipeptide inhibitors of β-secretase ELAN PHARMACEUTICALS, INC. (US) 2007-10-02 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed
US-20040254237-A1 Acid amide derivatives, process for producing these, and pest agent containing these ISHIHARA SANGYO KAISHA LTD. (JP) 2004-12-16 US disclosed
EP-1428817-A1 ACID AMIDE DERIVATIVES, PROCESS FOR PRODUCING THESE, AND PEST CONTROL AGENT CONTAINING THESE ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-06-16 EP 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 (6 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-20040254237-A1 Acid amide derivatives, process for producing these, and pest agent containing these NAA15, CBR3, CBR1 CA12 2630/4885CA1 1636/4885CA2 1010/4885
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CA12 3183/4885CA1 3625/4885CA2 4293/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP CA12 3183/4885CA1 3625/4885CA2 4293/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 CA12 376/4885CA1 350/4885CA2 196/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CA12 3183/4885CA1 3625/4885CA2 4293/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CA12 376/4885CA1 350/4885CA2 196/4885

“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.