SCHEMBL10148977

SCHEMBL10148977

CC(=O)Nc1cc(C)cc(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.59
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
HCAR1 Q9BXC0 1/20 0.52
HSD17B10 Q99714 2/20 0.52
POLB P06746 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FABP1 P07148 1/20 0.45
P2RY14 Q15391 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
THRB P10828 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
USP2 O75604 1/20 0.42

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
SCHEMBL2735596 0.88 MEN1 (0.56) MEN1KMT2AHSD17B10POLBTDP1
SCHEMBL618917 0.88 L3MBTL1 (0.57) MEN1KMT2AHSD17B10POLBTDP1
SCHEMBL12781878 0.83 MEN1 (0.70) MEN1KMT2AHSD17B10POLBTDP1
SCHEMBL849875 0.83 MEN1 (0.77) MEN1KMT2AHSD17B10TDP1LMNA
SCHEMBL28069880 0.80 KMT2A (0.57) TPMTMEN1KMT2AHCAR1POLB
SCHEMBL6772321 0.80 MEN1 (0.53) MEN1KMT2AHSD17B10POLBTDP1
SCHEMBL12868416 0.80 MEN1 (0.53) MEN1KMT2AHSD17B10TDP1LMNA
SCHEMBL12852899 0.80 TPMT (0.64) TPMTMEN1KMT2AHCAR1HSD17B10
SCHEMBL18036298 0.80 P2RY14 (0.68) MEN1KMT2ATDP1L3MBTL1FABP1
SCHEMBL5108982 0.79 ALDH1A1 (0.53) TPMTMEN1KMT2AHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-10-06 US disclosed
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-06-13 US disclosed
US-8445527-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-05-21 US disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 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-7595299-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-29 US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
EP-1343807-B1 DIARYL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITS C VIRUS SCHERING CORP (US) 2009-04-29 EP disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 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
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 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 (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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP TPMT 2591/4885MEN1 4495/4885KMT2A 3449/4885
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, HAVCR2, CPT1A TPMT 9/4885MEN1 4591/4885KMT2A 3584/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP TPMT 2591/4885MEN1 4495/4885KMT2A 3449/4885
US-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 TPMT 1253/4885MEN1 698/4885KMT2A 964/4885
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 TPMT 1253/4885MEN1 698/4885KMT2A 964/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP TPMT 2591/4885MEN1 4495/4885KMT2A 3449/4885

“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.