SCHEMBL10137813

SCHEMBL10137813

CC(C)C(=O)c1c(F)c(F)c(F)c(F)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
FFAR1 O14842 1/20 0.39
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
TAS1R3 Q7RTX0 6/20 0.33
TAS1R1 Q7RTX1 6/20 0.33
TAS1R2 Q8TE23 6/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
MAPK1 P28482 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
GFER P55789 1/20 0.31

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 0.89 SMN1; SMN2 (0.41) SMN1; SMN2PKMFFAR1MEN1KMT2A
SCHEMBL10137811 0.88 FFAR1 (0.40) SMN1; SMN2PKMFFAR1MEN1KMT2A
SCHEMBL10137810 0.85 FFAR1 (0.44) SMN1; SMN2PKMFFAR1TAS1R3TAS1R1
SCHEMBL336394 0.80 CES2 (0.43) SMN1; SMN2PKMMEN1KMT2ACRHBP
SCHEMBL29449985 0.80 CES2 (0.43) SMN1; SMN2PKMMEN1KMT2ACRHBP
Fluoride SCHEMBL6448131 0.77 CES2 (0.42) SMN1; SMN2PKMMEN1KMT2ACRHBP
Fluoride SCHEMBL10713010 0.77 CES2 (0.42) SMN1; SMN2PKMMEN1KMT2ACRHBP
SCHEMBL10454093 0.77 CES2 (0.42) SMN1; SMN2PKMMEN1KMT2ACRHBP
SCHEMBL10454071 0.77 CES2 (0.42) SMN1; SMN2PKMMEN1KMT2ACRHBP
SCHEMBL5498238 0.77 CES2 (0.42) SMN1; SMN2PKMMEN1KMT2ACRHBP

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

“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.