SCHEMBL10137804

SCHEMBL10137804

CC(C)C(=O)CC(CC(=O)O)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
EPHX1 P07099 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MMP2 P08253 2/20 0.34
CA9 Q16790 2/20 0.34
REN P00797 1/20 0.34
ACE P12821 1/20 0.34

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
SCHEMBL28480892 0.87 ALDH1A1 (0.77) ALDH1A1EPHX1SMN1; SMN2
SCHEMBL13693493 0.81 ALDH1A1 (0.65) ALDH1A1EPHX1SMN1; SMN2CA12CA1
SCHEMBL28935133 0.79 ALDH1A1 (0.67) ALDH1A1EPHX1SMN1; SMN2
SCHEMBL28087858 0.78 ALDH1A1 (0.70) ALDH1A1EPHX1SMN1; SMN2
SCHEMBL11151764 0.77 ALDH1A1 (0.69) ALDH1A1EPHX1SMN1; SMN2
SCHEMBL29238651 0.77 ALDH1A1 (0.63) ALDH1A1EPHX1SMN1; SMN2RENACE
SCHEMBL30514318 0.76 ALDH1A1 (0.62) ALDH1A1EPHX1SMN1; SMN2
SCHEMBL16249738 0.76 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2RENACE
SCHEMBL9589364 0.76 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2RENACE
SCHEMBL2335580 0.76 ALDH1A1 (0.67) ALDH1A1EPHX1SMN1; SMN2

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 ALDH1A1 2369/4885EPHX1 1446/4885SMN1; SMN2 3286/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP ALDH1A1 2369/4885EPHX1 1446/4885SMN1; SMN2 3286/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP ALDH1A1 2369/4885EPHX1 1446/4885SMN1; 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.