SCHEMBL25146532

SCHEMBL25146532

O=C(O)[C@@H]1C[C@H]1c1ccc(-c2ccc(CSS)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 10/20 0.56
▸ FFAR4 Q5NUL3 6/20 0.45
▸ CYP4F2 P78329 3/20 0.39
▸ CYP4A11 Q02928 3/20 0.39
▸ PDE4D Q08499 1/20 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
SCHEMBL23512759 0.80 FFAR1 (0.60) FFAR1FFAR4
SCHEMBL23512612 0.80 FFAR1 (0.60) FFAR1FFAR4
SCHEMBL6994406 0.77 FFAR1 (0.68) FFAR1FFAR4
SCHEMBL7868639 0.77 FFAR1 (0.68) FFAR1FFAR4
SCHEMBL25146666 0.77 FFAR1 (0.56) FFAR1FFAR4
SCHEMBL15096176 0.76 FFAR1 (0.56) FFAR1CYP4F2CYP4A11
SCHEMBL10267695 0.74 FFAR1 (0.55) FFAR1
SCHEMBL12646402 0.74 FFAR1 (0.73) FFAR1FFAR4
SCHEMBL3734035 0.72 FFAR1 (1.00) FFAR1FFAR4
SCHEMBL13043487 0.72 FFAR1 (1.00) FFAR1FFAR4

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-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-04-20 — — 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-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF PPID, PPIF, PPIL1 FFAR1 776/4885FFAR4 2102/4885CYP4F2 723/4885

“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.

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