SCHEMBL10136508

SCHEMBL10136508

CC(C)c1ccccc1C(=O)c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
ALOX15 P16050 2/20 0.62
HPGDS O60760 1/20 0.53
HPGD P15428 5/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP2C9 P11712 2/20 0.49
PTGS1 P23219 2/20 0.49
PTGS2 P35354 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
PSMD14 O00487 1/20 0.49
MMP2 P08253 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
PLA2G1B P04054 1/20 0.47

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 SCHEMBL10588359 0.98 LMNA (0.60) LMNAALOX15HPGDSHPGDALDH1A1
SCHEMBL11489885 0.89 LMNA (0.57) LMNAALOX15HPGDSHPGDALDH1A1
SCHEMBL13243338 0.87 ALOX15 (0.51) LMNAALOX15HPGDSHPGDALDH1A1
SCHEMBL11574723 0.87 LMNA (0.59) LMNAALOX15HPGDSHPGDALDH1A1
SCHEMBL11490665 0.85 LMNA (0.53) LMNAALOX15HPGDSHPGDALDH1A1
Hydrochloric Acid SCHEMBL10588343 0.85 LMNA (0.53) LMNAALOX15HPGDSHPGDALDH1A1
SCHEMBL9148337 0.83 LMNA (0.85) LMNAALOX15HPGDSHPGDALDH1A1
SCHEMBL11703589 0.80 ALOX15 (0.50) LMNAALOX15HPGDSHPGDALDH1A1
SCHEMBL1148330 0.79 GABRA1 (0.52) LMNAALOX15HPGDALDH1A1PTGS1
SCHEMBL10174797 0.79 CTNNB1 (0.66) LMNAALOX15HPGDSHPGDALDH1A1

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 10 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-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 US 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 (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 LMNA 3429/4885ALOX15 2957/4885HPGDS 1163/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP LMNA 3429/4885ALOX15 2957/4885HPGDS 1163/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP LMNA 3429/4885ALOX15 2957/4885HPGDS 1163/4885

“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.