SCHEMBL23344919

SCHEMBL23344919

CC(C)(C)c1cccc(C(F)F)c1CF

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
GABRA1 P14867 2/20 0.33
GABRB2 P47870 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
P2RX7 Q99572 1/20 0.32
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31

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
SCHEMBL23344924 0.85 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL23344918 0.80 CA2 (0.33) CA2GABRA1GABRB2
SCHEMBL10170299 0.76 ALDH1A1 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL23344923 0.75 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL23344942 0.75 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL23344921 0.73 P2RX7 (0.49) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL25451272 0.73 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL23326667 0.72 CYP2D6 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL23326669 0.72 CYP2D6 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL23326550 0.71

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-11168102-B1 Bicyclic heteroaryl compounds and uses thereof Revolution Medicines, Inc. (US) 2021-11-09 US disclosed
US-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. 2021-05-13 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-11168102-B1 Bicyclic heteroaryl compounds and uses thereof SOS1, SOST, SOS2 CA2 2319/4885GABRA1 1052/4885GABRB2 1424/4885
US-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 CA2 3381/4885GABRA1 962/4885GABRB2 1186/4885

“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.