SCHEMBL22186142

SCHEMBL22186142

COc1nnc(C(C)(C)C)cc1F

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL17808316 0.78 CA1 (0.36) SQORALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL17816256 0.77 SQOR (0.33) SQORALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL15823124 0.76 ALDH1A1 (0.34) SQORALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL17808315 0.73 ALDH1A1 (0.32) SQORALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL22199007 0.72 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C19
SCHEMBL24299457 0.68 — —
SCHEMBL22185957 0.68 ALDH1A1 (0.34) ALDH1A1CYP1A2CYP2C19
SCHEMBL9967856 0.67 PIK3CA (0.39) CYP1A2CYP2C19
SCHEMBL15244133 0.66 ALDH1A1 (0.39) SQORALDH1A1CYP1A2CYP2C19
SCHEMBL16466586 0.65 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP2C19

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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 — — 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A SQOR 96/4885ALDH1A1 149/4885CYP1A2 408/4885

“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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