SCHEMBL23914760

SCHEMBL23914760

CS(C)(C)CCOCn1c(Cc2nn(CC(=O)O)c(=O)c3ccccc23)cc2cc(Cl)c(OCC(F)F)cc21

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 14/20 0.56
TSHR P16473 1/20 0.39
CMA1 P23946 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
ALOX15 P16050 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
SCHEMBL23914741 0.93 S1PR2 (0.48) S1PR2
SCHEMBL23914758 0.91 S1PR2 (0.57) S1PR2TSHRCMA1PTGDR2ALOX15
SCHEMBL23914732 0.90 S1PR2 (0.52) S1PR2
SCHEMBL23909043 0.84 S1PR2 (0.48) S1PR2
SCHEMBL23915377 0.83 S1PR2 (0.37) S1PR2TSHR
SCHEMBL23966554 0.82 S1PR2 (0.47) S1PR2
SCHEMBL23909060 0.82 S1PR2 (0.53) S1PR2
SCHEMBL23915555 0.76
SCHEMBL23908807 0.74 S1PR2 (0.72) S1PR2TSHRCMA1ALOX15
SCHEMBL23915376 0.74 S1PR2 (0.37) S1PR2TSHR

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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 S1PR2 3/4885TSHR 588/4885CMA1 260/4885

“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.