SCHEMBL10137772

SCHEMBL10137772

Cc1cc(C)cc(CC(=O)C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.38
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
MAPK8 P45983 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
IDH1 O75874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
EPHX1 P07099 1/20 0.35
HPGD P15428 1/20 0.34
NOS2 P35228 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSPO P30536 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
MAOA P21397 1/20 0.33
CISD1 Q9NZ45 1/20 0.33

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
SCHEMBL10137786 0.82 TACR1 (0.41) IDH1EPHX1ALDH1A1TACR1
SCHEMBL10137770 0.80 CTBP2 (0.54) MAPK8ALDH1A1ITGA4ITGB7
SCHEMBL12581356 0.79 HCAR2 (0.43) CYP1A2NOS2
SCHEMBL5199178 0.79 TPMT (0.36) TPMTPGK1PGK2MAPK8HTT
SCHEMBL10137771 0.78 HPGD (0.55) HPGDALDH1A1KMT2A
SCHEMBL15273444 0.77 TPMT (0.41) TPMTPGK1PGK2MAPK8HTT
SCHEMBL10137782 0.77 MEN1 (0.41) MAPK8HTTCYP1A2EPHX1KMT2A
SCHEMBL13197240 0.77 POLB (0.45) HTTCYP1A2HPGDALDH1A1
SCHEMBL12205412 0.77 TPMT (0.44) TPMTPGK1PGK2MAPK8HTT
SCHEMBL21503653 0.75 CES2 (0.40) HTTCYP1A2NOS2ALDH1A1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7595299-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-29 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 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 (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 TPMT 2591/4885PGK1 2400/4885PGK2 2953/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP TPMT 2591/4885PGK1 2400/4885PGK2 2953/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP TPMT 2591/4885PGK1 2400/4885PGK2 2953/4885

“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.