SCHEMBL25839081

SCHEMBL25839081

CC(C)c1cc(F)cc(Br)c1F

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL26203726 0.83 CES2 (0.36) GABRA1GABRB1CES2CES1CA1
SCHEMBL30014342 0.83 PDE2A (0.35)
SCHEMBL23526123 0.83 PDE2A (0.35)
SCHEMBL23526125 0.83 PDE2A (0.35)
SCHEMBL9821046 0.83 CES2 (0.33) GABRA1GABRB1CES2CES1
SCHEMBL29325148 0.80 GABRA1 (0.35) GABRA1GABRB1
SCHEMBL25839065 0.80 GABRA1 (0.35) GABRA1GABRB1
SCHEMBL23063467 0.78 GABRA1 (0.54) GABRA1GABRB1CA1CA2
SCHEMBL20609888 0.78 GAA (0.36) GABRA1GABRB1CA1CA2
SCHEMBL31376150 0.78 GABRA1 (0.34) GABRA1GABRB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702418-B2 SOS1 inhibitors Mirati Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-20230137886-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. 2023-05-04 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 (2 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-20230137886-A1 SOS1 INHIBITORS SOS1, SOS2, SAV1 GABRA1 3962/4885GABRB1 3361/4885CES2 4258/4885
US-11702418-B2 SOS1 inhibitors SOS1, SOS2, SOST GABRA1 3926/4885GABRB1 3516/4885CES2 4247/4885

“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.