SCHEMBL10137835

SCHEMBL10137835

CC(C)CCCNC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 2/20 0.51
HPGD P15428 1/20 0.50
RARB P10826 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.49
NAAA Q02083 1/20 0.49
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
LMNA P02545 3/20 0.48
POLB P06746 1/20 0.47
HTT P42858 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
SCHEMBL10174286 0.95 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL10137831 0.88 SMN1; SMN2 (0.67) NPC1RAB9ASMN1; SMN2NAAAMAPK11
SCHEMBL20362840 0.86 RAB9A (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL10137830 0.84 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2L3MBTL1NAAA
SCHEMBL29299615 0.84 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL12650598 0.83 NAAA (0.66) NPC1RAB9ASMN1; SMN2MAPK1NAAA
SCHEMBL17887994 0.82 SMN1; SMN2 (0.77) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL10363539 0.82 MAPK1 (0.72) NPC1RAB9AALDH1A1MAPK1L3MBTL1
SCHEMBL19177259 0.82 L3MBTL1 (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL10099547 0.82 NAAA (0.69) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1

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 7 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-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 NPC1 1099/4885RAB9A 2106/4885SMN1; SMN2 3286/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP NPC1 1099/4885RAB9A 2106/4885SMN1; SMN2 3286/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP NPC1 1099/4885RAB9A 2106/4885SMN1; SMN2 3286/4885

“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.