SCHEMBL20260100

SCHEMBL20260100

CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)CNc3cc(CC(F)(F)F)c(Cl)cc3O)CC2)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 3/20 0.55
▸ USP30 Q70CQ3 1/20 0.35
▸ FNTA P49354 3/20 0.34
▸ FNTB P49356 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ STS P08842 3/20 0.33
▸ IL1B P01584 2/20 0.33
▸ P2RX7 Q99572 2/20 0.33
▸ ANO1 Q5XXA6 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL16122675 0.91 KRAS (0.44) KRASUSP30STSEPHX2
SCHEMBL30642306 0.89 KRAS (0.68) KRASUSP30FNTAFNTBSTS
SCHEMBL16129263 0.89 KRAS (0.68) KRASUSP30FNTAFNTBSTS
SCHEMBL16100135 0.85 KRAS (0.77) KRAS
SCHEMBL31672360 0.85 KRAS (0.77) KRAS
SCHEMBL21458760 0.83 KRAS (0.74) KRASUSP30FNTAFNTBSTS
SCHEMBL16102313 0.81 KRAS (0.46) KRASSTS
SCHEMBL30642275 0.80 KRAS (0.48) KRASSTSMEN1KMT2A
SCHEMBL16098954 0.80 KRAS (0.48) KRASSTSMEN1KMT2A
SCHEMBL16122668 0.78 KRAS (0.60) KRAS

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-10273207-B2 Covalent inhibitors of kras G12C ARAXES PHARMA LLC (US) 2019-04-30 — — US disclosed
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 — — 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-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885USP30 340/4885FNTA 442/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS KRAS 1/4885USP30 340/4885FNTA 442/4885

“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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