SCHEMBL6765735

SCHEMBL6765735

CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N(C1CCCNCC1=O)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.46
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
UTS2R Q9UKP6 4/20 0.43
TRPV4 Q9HBA0 2/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
OPRM1 P35372 1/20 0.38
PIN1 Q13526 2/20 0.38

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
SCHEMBL4838791 1.00 CTSK (0.46) CTSKTAS1R3TAS1R1UTS2RTRPV4
SCHEMBL4765437 0.93 TRPV4 (0.46) CTSKTAS1R3TAS1R1UTS2RTRPV4
SCHEMBL4765434 0.93 TRPV4 (0.46) CTSKTAS1R3TAS1R1UTS2RTRPV4
SCHEMBL4765345 0.90 CTSK (0.46) CTSKTAS1R3TAS1R1UTS2RTRPV4
SCHEMBL4765349 0.90 CTSK (0.46) CTSKTAS1R3TAS1R1UTS2RTRPV4
SCHEMBL6771256 0.89 CTSK (0.50) CTSKTAS1R3TAS1R1UTS2RTRPV4
SCHEMBL6592507 0.89 TRPV4 (0.45) CTSKTAS1R3TAS1R1UTS2RTRPV4
SCHEMBL6592504 0.89 TRPV4 (0.45) CTSKTAS1R3TAS1R1UTS2RTRPV4
SCHEMBL4762325 0.88 CTSK (0.47) CTSKTAS1R3TAS1R1UTS2RTRPV4
SCHEMBL4768869 0.88 TAS1R3 (0.47) CTSKTAS1R3TAS1R1UTS2RTRPV4

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-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 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-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885TAS1R3 2506/4885TAS1R1 3023/4885

“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.