SCHEMBL4179243

SCHEMBL4179243

CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.47
UTS2R Q9UKP6 4/20 0.44
TRPV4 Q9HBA0 2/20 0.44
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
TACR2 P21452 2/20 0.38
MCHR1 Q99705 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL4185441 1.00 CTSK (0.47) CTSKUTS2RTRPV4TAS1R3TAS1R1
SCHEMBL4185445 1.00 CTSK (0.47) CTSKUTS2RTRPV4TAS1R3TAS1R1
SCHEMBL4192146 0.93 TRPV4 (0.53) CTSKUTS2RTRPV4TAS1R3TAS1R1
SCHEMBL4187923 0.93 TRPV4 (0.53) CTSKUTS2RTRPV4TAS1R3TAS1R1
SCHEMBL14470779 0.89 UTS2R (0.49) CTSKUTS2RTRPV4TAS1R3TAS1R1
SCHEMBL4185654 0.87 UTS2R (0.52) CTSKUTS2RTRPV4TAS1R3TAS1R1
SCHEMBL4181100 0.87 UTS2R (0.52) CTSKUTS2RTRPV4TAS1R3TAS1R1
SCHEMBL4180981 0.87 UTS2R (0.52) CTSKUTS2RTRPV4TAS1R3TAS1R1
SCHEMBL4182999 0.87 UTS2R (0.52) CTSKUTS2RTRPV4TAS1R3TAS1R1
SCHEMBL4185931 0.86 TRPV4 (0.60) CTSKUTS2RTRPV4TAS1R3TAS1R1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 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 (1 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-20090124619-A1 NOVEL COMPOUNDS TRPV4, TRPC4, TRPV1 CTSK 1738/4885UTS2R 391/4885TRPV4 1/4885

“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.