SCHEMBL29898540

SCHEMBL29898540

Cc1cc(F)ccc1-c1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 8/20 0.58
▸ MAP2K4 P45985 3/20 0.56
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2C19 P33261 4/20 0.48
▸ RIPK2 O43353 1/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ KRAS P01116 1/20 0.45
▸ RAF1 P04049 1/20 0.45
▸ PGR P06401 1/20 0.45
▸ RET P07949 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ ARAF P10398 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ BRAF P15056 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ FECH P22830 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ MAP2K2 P36507 1/20 0.45

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
SCHEMBL21624564 1.00 CYP2C9 (0.58) CYP2C9MAP2K4CYP3A4CYP2C19RIPK2
SCHEMBL27101338 0.89 CYP2C9 (0.73) CYP2C9MAP2K4CYP3A4CYP2C19RIPK2
SCHEMBL20400057 0.88 MAP2K4 (0.70) CYP2C9MAP2K4CYP3A4CYP2C19
SCHEMBL20408848 0.87 MAP2K4 (0.73) CYP2C9MAP2K4CYP3A4CYP2C19RIPK2
SCHEMBL29725811 0.87 MAP2K4 (0.73) CYP2C9MAP2K4CYP3A4CYP2C19RIPK2
SCHEMBL29898535 0.85 CYP2C9 (0.61) CYP2C9MAP2K4CYP3A4CYP2C19RIPK2
SCHEMBL21624536 0.85 CYP2C9 (0.61) CYP2C9MAP2K4CYP3A4CYP2C19RIPK2
SCHEMBL27101478 0.85 MAP2K4 (0.59) CYP2C9MAP2K4CYP3A4CYP2C19RIPK2
SCHEMBL29898532 0.85 MAP2K4 (0.59) CYP2C9MAP2K4CYP3A4CYP2C19RIPK2
SCHEMBL21624474 0.85 CYP2C9 (0.63) CYP2C9CYP3A4CYP2C19RIPK2ABCB11

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-20220281864-A1 PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HEPAREGENIX GMBH (DE) 2022-09-08 — — US claimed

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-20220281864-A1 PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH MAPK4, MAPK7, MAPK14 CYP2C9 1814/4885MAP2K4 22/4885CYP3A4 667/4885

“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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