SCHEMBL27186247

SCHEMBL27186247

C[C@@H](NC(=O)c1cn(C2CCOCC2)c(=O)c2c[nH]nc12)c1cccc(C(F)(F)CO)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 16/20 0.42
▸ KRAS P01116 5/20 0.42
▸ TRPV4 Q9HBA0 1/20 0.36
▸ ELANE P08246 2/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ BRAF P15056 1/20 0.34

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
SCHEMBL29844200 1.00 SOS1 (0.42) SOS1KRASTRPV4ELANERAF1
SCHEMBL27186252 1.00 SOS1 (0.42) SOS1KRASTRPV4ELANERAF1
SCHEMBL27186112 0.85 SOS1 (0.42) SOS1KRASTRPV4ELANERAF1
SCHEMBL27186120 0.85 SOS1 (0.42) SOS1KRASTRPV4ELANERAF1
SCHEMBL29844219 0.85 SOS1 (0.42) SOS1KRASTRPV4ELANERAF1
SCHEMBL27186093 0.83 SOS1 (0.39) SOS1KRASTRPV4ELANERAF1
SCHEMBL29844166 0.83 SOS1 (0.39) SOS1KRASTRPV4ELANERAF1
SCHEMBL27186095 0.83 SOS1 (0.39) SOS1KRASTRPV4ELANERAF1
SCHEMBL27186885 0.77 KRAS (0.40) SOS1KRAS
SCHEMBL27186887 0.77 KRAS (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109887-A1 NOVEL SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AS SOS1 INHIBITORS VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2024-04-04 — — 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 (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-20240109887-A1 NOVEL SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AS SOS1 INHIBITORS SOS1, SOS2, KSR1 SOS1 1/4885KRAS 10/4885TRPV4 4345/4885

“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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