SCHEMBL23915418

SCHEMBL23915418

CS(C)(C)CCOCn1ccc2cc(Cl)c(OCC(F)F)cc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DUT P33316 3/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTR2B P41595 1/20 0.33
GRM2 Q14416 1/20 0.31
KMO O15229 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL23915555 0.78
SCHEMBL23914590 0.77
SCHEMBL23914624 0.74 NOD2 (0.34)
SCHEMBL23915377 0.69 S1PR2 (0.37) CYP3A4CYP2C9
SCHEMBL24493506 0.69 HTR2C (0.49) HTR2AHTR2C
SCHEMBL23909113 0.63 GRM2 (0.32) GRM2
SCHEMBL18559451 0.62 FGFR1 (0.35)
SCHEMBL23229422 0.61 CXCR3 (0.30)
SCHEMBL22403208 0.61 FGFR1 (0.36)
SCHEMBL16192727 0.61 HTR2A (0.52) HTR2AHTR2CCYP1A2CYP3A4CYP2C9

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 DUT 3360/4885HTR2A 577/4885HTR2C 1276/4885

“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.