SCHEMBL10137811

SCHEMBL10137811

CC(C)C(=O)c1c(F)c(F)c(C(=O)O)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
TAS1R3 Q7RTX0 7/20 0.34
TAS1R1 Q7RTX1 7/20 0.34
TAS1R2 Q8TE23 7/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL10137812 0.96 SMN1; SMN2 (0.41) FFAR1SMN1; SMN2PKMFABP3FABP4
SCHEMBL10137813 0.88 SMN1; SMN2 (0.42) FFAR1SMN1; SMN2PKMFABP3FABP4
SCHEMBL10137810 0.87 FFAR1 (0.44) FFAR1SMN1; SMN2PKMTAS1R3TAS1R1
SCHEMBL17678836 0.81 TAS1R3 (0.52) FFAR1SMN1; SMN2PKMTAS1R3TAS1R1
SCHEMBL10654634 0.79 FFAR1 (0.39) FFAR1SMN1; SMN2PKMTAS1R3TAS1R1
Methyl Alcohol SCHEMBL28841421 0.79 MEN1 (0.41) SMN1; SMN2PKMMEN1KMT2ACRHBP
SCHEMBL141037 0.79 CYP1A2 (0.40) SMN1; SMN2PKMMEN1KMT2ACRHBP
Acetic Acid SCHEMBL22129209 0.76 FFAR3 (0.44) SMN1; SMN2PKMMEN1KMT2ACRHBP
SCHEMBL1833734 0.76 SMN1; SMN2 (0.44) SMN1; SMN2PKMFABP3FABP4TAS1R3
SCHEMBL12650279 0.76 LDHA (0.40) SMN1; SMN2PKMFABP3FABP4TAS1R3

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 FFAR1 4563/4885SMN1; SMN2 3286/4885PKM 3364/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP FFAR1 4563/4885SMN1; SMN2 3286/4885PKM 3364/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP FFAR1 4563/4885SMN1; SMN2 3286/4885PKM 3364/4885

“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.