SCHEMBL31278727

SCHEMBL31278727

COC(=O)N1CC(Br)(C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 3/20 0.39
▸ CYP3A4 P08684 7/20 0.38
▸ CYP2C19 P33261 6/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ CHRNB2 P17787 2/20 0.37
▸ CHRNA4 P43681 2/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP2C9 P11712 6/20 0.36
▸ CYP2D6 P10635 6/20 0.36
▸ CYP1A2 P05177 6/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ TSHR P16473 4/20 0.34
▸ HPGD P15428 1/20 0.33
▸ HIF1A Q16665 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
SCHEMBL13515908 0.73 USP2 (0.43) USP2CYP3A4CYP2C19HSD17B10CHRNB2
SCHEMBL15014465 0.71 CYP2C9 (0.42) USP2CYP3A4CYP2C19HSD17B10CHRNB2
SCHEMBL30745944 0.68 CYP2C9 (0.57) USP2CYP3A4CYP2C19HSD17B10CYP2C9
SCHEMBL27405684 0.68 CYP2D6 (0.46) USP2CYP3A4CYP2C19HSD17B10CHRNB2
SCHEMBL19504452 0.68 USP2 (0.56) USP2CYP3A4CYP2C19HSD17B10CHRNB2
SCHEMBL29424710 0.68 CYP2C9 (0.57) USP2CYP3A4CYP2C19HSD17B10CYP2C9
SCHEMBL30690038 0.67 CYP3A4 (0.33) USP2CYP3A4CYP2C19HSD17B10CHRNB2
SCHEMBL30421257 0.67 CYP2C19 (0.50) USP2CYP3A4CYP2C19HSD17B10CHRNB2
SCHEMBL21358327 0.67 CHRNB2 (0.47) USP2CYP3A4CYP2C19HSD17B10CHRNB2
SCHEMBL30782076 0.67 USP2 (0.39) USP2CYP3A4CYP2C19HSD17B10CHRNB2

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-20260008789-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS INC (US) 2026-01-08 — — US disclosed
WO-2024259169-A1 PYRIMIDINE BASED MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2024-12-19 — — WO 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-20260008789-A1 KRAS MODULATORS AND USES THEREOF KRAS, NRAS, HRAS USP2 2178/4885CYP3A4 3694/4885CYP2C19 1965/4885

“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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