SCHEMBL10174291

SCHEMBL10174291

CC(C)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.48
CES2 O00748 1/20 0.44
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 2/20 0.44
ALDH1A1 P00352 1/20 0.42
IDO1 P14902 2/20 0.40
EPHX1 P07099 1/20 0.40
MTOR P42345 1/20 0.40
MAPT P10636 1/20 0.40
CYP2D6 P10635 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39

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
SCHEMBL10137786 0.90 TACR1 (0.41) TACR1RXRARXRBRXRGALDH1A1
SCHEMBL10174292 0.83 HTR2A (0.57) ALDH1A1EPHX1MAPT
SCHEMBL10206351 0.81 PIK3CA (0.49) CES2RXRARXRBRXRGALDH1A1
SCHEMBL6492340 0.79 IDO1 (0.48) TACR1CES2RXRARXRBRXRG
SCHEMBL6865708 0.78 CES2 (0.52) TACR1CES2RXRARXRBRXRG
SCHEMBL504122 0.76 RXRA (0.68) TACR1CES2RXRARXRBRXRG
SCHEMBL14791168 0.76 TACR1 (0.39) TACR1RXRARXRBRXRGALDH1A1
SCHEMBL7640052 0.75 TACR1 (0.46) TACR1CES2RXRARXRBRXRG
SCHEMBL3329702 0.75 CES2 (0.48) TACR1CES2RXRARXRBRXRG
SCHEMBL5462785 0.75 CES2 (0.48) TACR1CES2RXRARXRBRXRG

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-9687832-B2 Bifunctional organic catalysts OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-06-27 US disclosed
US-20150298109-A1 BIFUNCTIONAL ORGANIC CATALYSTS ISIS INNOVATION LIMITED (GB) 2015-10-22 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 TACR1 1070/4885CES2 1377/4885RXRA 4631/4885
US-20150298109-A1 BIFUNCTIONAL ORGANIC CATALYSTS CCNL2, UBE2L3, ARL1 TACR1 4417/4885CES2 1056/4885RXRA 3809/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP TACR1 1070/4885CES2 1377/4885RXRA 4631/4885

“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.