SCHEMBL10137830

SCHEMBL10137830

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
HSD17B10 Q99714 2/20 0.58
GAA P10253 1/20 0.58
KMT2A Q03164 1/20 0.58
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TP53BP1 Q12888 3/20 0.50
PAX8 Q06710 1/20 0.50
NR1H4 Q96RI1 2/20 0.49
NAAA Q02083 1/20 0.48
LMNA P02545 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 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
SCHEMBL13688471 0.96 SMN1; SMN2 (0.59) SMN1; SMN2HSD17B10GAAKMT2ANPC1
SCHEMBL26733447 0.91 SMN1; SMN2 (0.61) SMN1; SMN2HSD17B10GAAKMT2ANPC1
SCHEMBL10137831 0.86 SMN1; SMN2 (0.67) SMN1; SMN2GAANPC1RAB9APAX8
SCHEMBL10137835 0.84 NPC1 (0.60) SMN1; SMN2NPC1RAB9ANAAALMNA
SCHEMBL9491823 0.84 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ANAAALMNA
SCHEMBL13693382 0.83 SMN1; SMN2 (0.87) SMN1; SMN2GAATP53BP1NR1H4NAAA
SCHEMBL18918566 0.82 SMN1; SMN2 (0.57) SMN1; SMN2HSD17B10GAAKMT2ATP53BP1
SCHEMBL10174301 0.82 SMN1; SMN2 (0.79) SMN1; SMN2GAATP53BP1NR1H4NAAA
SCHEMBL24504102 0.82 SMN1; SMN2 (0.56) SMN1; SMN2HSD17B10GAAKMT2ANPC1
SCHEMBL29256480 0.82 SMN1; SMN2 (0.56) SMN1; SMN2HSD17B10GAAKMT2ANPC1

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 SMN1; SMN2 3286/4885HSD17B10 1968/4885GAA 725/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP SMN1; SMN2 3286/4885HSD17B10 1968/4885GAA 725/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP SMN1; SMN2 3286/4885HSD17B10 1968/4885GAA 725/4885

“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.