SCHEMBL25856942

SCHEMBL25856942

CC(C)Cc1ccc(C2=CC(c3ccc4c(c3)CCC(=O)C4)=CC2)cc1C#N

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 4/20 0.34
▸ RORC P51449 4/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33

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
SCHEMBL23558510 0.78 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL23558242 0.73 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL23558511 0.73 TYR (0.37) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL23558514 0.72 CYP3A4 (0.40) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL23558298 0.71 POLB (0.36) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL23558517 0.71 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL25856859 0.65 — —
SCHEMBL27843804 0.63 CYP2A6 (0.44) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL21974591 0.63 S1PR5 (0.38) S1PR1RORCCYP2C9
SCHEMBL25856764 0.62 PGR (0.41) S1PR1CYP1A2CYP11B1CYP11B2

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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885RORC 888/4885CYP1A2 4278/4885

“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.

Send feedback