SCHEMBL29898541

SCHEMBL29898541

O=C(c1cccc(NS(=O)(=O)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3cc4c(cc3Cl)OCCO4)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 6/20 0.52
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 5/20 0.45
▸ MAP2K4 P45985 3/20 0.44
▸ BRAF P15056 3/20 0.44
▸ RIPK2 O43353 2/20 0.44
▸ RAF1 P04049 2/20 0.44
▸ KDR P35968 2/20 0.44
▸ MAP2K2 P36507 2/20 0.44
▸ TGFBR2 P37173 2/20 0.44
▸ NEK2 P51955 2/20 0.44
▸ MAP2K1 Q02750 2/20 0.44
▸ TNK2 Q07912 2/20 0.44
▸ MAP2K5 Q13163 2/20 0.44
▸ PTK6 Q13882 2/20 0.44
▸ NEK11 Q8NG66 2/20 0.44
▸ MAP3K20 Q9NYL2 2/20 0.44
▸ MAP4K5 Q9Y4K4 2/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ EGFR P00533 1/20 0.44

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
SCHEMBL21624547 1.00 CYP2C9 (0.52) CYP2C9CYP3A4CYP2C19MAP2K4BRAF
SCHEMBL29898577 0.96 CYP2C9 (0.52) CYP2C9CYP3A4CYP2C19MAP2K4BRAF
SCHEMBL21624479 0.96 CYP2C9 (0.52) CYP2C9CYP3A4CYP2C19MAP2K4BRAF
SCHEMBL23510279 0.89 CYP2C9 (0.66) CYP2C9CYP3A4CYP2C19MAP2K4BRAF
SCHEMBL20408812 0.88 MAP2K4 (0.56) CYP2C9CYP3A4CYP2C19MAP2K4BRAF
SCHEMBL20408819 0.88 CYP2C9 (0.60) CYP2C9CYP3A4CYP2C19MAP2K4BRAF
SCHEMBL27101478 0.84 MAP2K4 (0.59) CYP2C9CYP3A4CYP2C19MAP2K4BRAF
SCHEMBL29898532 0.84 MAP2K4 (0.59) CYP2C9CYP3A4CYP2C19MAP2K4BRAF
SCHEMBL21624514 0.84 BRAF (0.61) CYP2C9CYP3A4CYP2C19BRAFRIPK2
SCHEMBL30866609 0.84 BRAF (0.61) CYP2C9CYP3A4CYP2C19BRAFRIPK2

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 1814/4885CYP3A4 667/4885CYP2C19 2855/4885

“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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