SCHEMBL10137577

SCHEMBL10137577

CN1CC(=O)CC1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.46
HTR2C P28335 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MMP2 P08253 1/20 0.43
ANPEP P15144 1/20 0.43

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
SCHEMBL29180237 0.86 FKBP1A (0.51) FKBP1AHPGDTSHRHTR2CALDH1A1
SCHEMBL5351382 0.85 NPSR1 (0.48) FKBP1AHPGDALDH1A1
SCHEMBL10137748 0.84 FKBP1A (0.46) FKBP1AHPGDTSHRALDH1A1CYP3A4
SCHEMBL2757477 0.83 FKBP1A (0.47) FKBP1AHPGDALDH1A1CYP3A4CYP2C9
SCHEMBL994630 0.83 FKBP1A (0.50) FKBP1AHPGDCYP3A4CYP2C9CYP2C19
SCHEMBL8863318 0.82 FKBP1A (0.49) FKBP1AHTR2CCYP2C19
SCHEMBL26945273 0.82 FKBP1A (0.49) FKBP1AHTR2CCYP2C19
SCHEMBL16589449 0.82 FKBP1A (0.49) FKBP1AHPGDALDH1A1CYP3A4CYP2C9
SCHEMBL8890189 0.80 FKBP1A (0.47) FKBP1AHPGDCYP3A4CYP2C9CYP2C19
SCHEMBL27047902 0.80 HPGD (0.52) FKBP1AHPGDALDH1A1

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-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-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

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 FKBP1A 1303/4885HPGD 2426/4885TSHR 4691/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP FKBP1A 1303/4885HPGD 2426/4885TSHR 4691/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP FKBP1A 1303/4885HPGD 2426/4885TSHR 4691/4885

“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.