SCHEMBL23344916

SCHEMBL23344916

CC(C)c1cccc2c1OCC2(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 3/20 0.41
KRAS P01116 2/20 0.41
GABRA1 P14867 3/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRB2 P47870 2/20 0.35
FAAH O00519 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
GABRB1 P18505 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35

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
SCHEMBL28798525 0.87 SOS1 (0.39) SOS1KRASLMNACYP1A2CYP3A4
SCHEMBL21132431 0.87 SOS1 (0.39) SOS1KRASLMNACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL25364056 0.85 SOS1 (0.39) SOS1KRASLMNACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL25248688 0.85 SOS1 (0.39) SOS1KRASLMNACYP1A2CYP3A4
SCHEMBL21936938 0.83 KRAS (0.33) SOS1KRASGABRA1GABRG2GABRB3
SCHEMBL24802168 0.83 SOS1 (0.36) SOS1KRAS
SCHEMBL8121999 0.81 PTGS1 (0.36) SOS1KRASGABRA1GABRG2GABRB3
SCHEMBL21911577 0.79 GABRA1 (0.35) SOS1KRASGABRA1GABRG2GABRB3
SCHEMBL29473829 0.78 GABRA1 (0.38) SOS1KRASGABRA1GABRG2GABRB3
SCHEMBL26017558 0.77 SOS1 (0.41) SOS1KRAS

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
WO-2023011540-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF 苏州信诺维医药科技股份有限公司 2023-02-09 WO 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 (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-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 SOS1 2/4885KRAS 14/4885GABRA1 962/4885

“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.