SCHEMBL10174286

SCHEMBL10174286

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPK1 P28482 1/20 0.54
RARB P10826 1/20 0.52
ALDH1A1 P00352 2/20 0.51
NAAA Q02083 1/20 0.51
FOLH1 Q04609 5/20 0.51
ITGB3 P05106 2/20 0.51
ITGA2B P08514 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 1/20 0.49

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
SCHEMBL10137835 0.95 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPK1RARB
SCHEMBL12650598 0.89 NAAA (0.66) NPC1RAB9ASMN1; SMN2MAPK1NAAA
SCHEMBL10099547 0.87 NAAA (0.69) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL10099539 0.86 L3MBTL1 (0.69) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL13688471 0.85 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2NAAAL3MBTL1
SCHEMBL11282161 0.84 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL18534318 0.84 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL29299580 0.84 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL10099538 0.84 HDAC3 (0.61) NPC1RAB9ASMN1; SMN2MAPK1L3MBTL1
SCHEMBL18085918 0.84 HDAC3 (0.63) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-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.