SCHEMBL10137843

SCHEMBL10137843

CC(C)CCCNC(=O)C1CCC(C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
NAAA Q02083 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 2/20 0.42
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
ALDH1A1 P00352 5/20 0.41
GAA P10253 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 1/20 0.40
PSMB5 P28074 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.38

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
SCHEMBL13688470 0.95 HSD17B10 (0.48) HSD17B10NAAAMEN1KMT2ACYP2C19
SCHEMBL29306398 0.93 HSD17B10 (0.54) HSD17B10NAAAMEN1KMT2ACYP2C19
SCHEMBL17789630 0.86 NAAA (0.56) HSD17B10NAAAMEN1KMT2ACYP2C19
SCHEMBL28342798 0.86 NAAA (0.56) HSD17B10NAAAMEN1KMT2ACYP2C19
SCHEMBL25801598 0.85 HSD17B10 (0.48) HSD17B10NAAAMEN1KMT2ACYP2C19
SCHEMBL10137833 0.85 NAAA (0.63) HSD17B10NAAAMEN1KMT2ACYP2C19
SCHEMBL29300398 0.83 HSD17B10 (0.46) HSD17B10NAAAMEN1KMT2ACYP2C19
SCHEMBL7750667 0.82 HSD17B10 (0.66) HSD17B10NAAAMEN1KMT2ACYP2C19
SCHEMBL29306397 0.82 HSD17B10 (0.48) HSD17B10NAAAMEN1KMT2ACYP2C19
SCHEMBL12650953 0.81 NAAA (0.62) NAAAMEN1KMT2AGNAI3GNAO1

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 HSD17B10 1968/4885NAAA 1690/4885MEN1 4495/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP HSD17B10 1968/4885NAAA 1690/4885MEN1 4495/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP HSD17B10 1968/4885NAAA 1690/4885MEN1 4495/4885

“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.