SCHEMBL29898543

SCHEMBL29898543

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(C(=O)O)cc4)cc23)c1F

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.85
RIPK2 O43353 1/20 0.85
ABCB11 O95342 1/20 0.85
EGFR P00533 1/20 0.85
KRAS P01116 1/20 0.85
RAF1 P04049 1/20 0.85
PGR P06401 1/20 0.85
RET P07949 1/20 0.85
CHRM2 P08172 1/20 0.85
ADORA3 P0DMS8 1/20 0.85
ARAF P10398 1/20 0.85
CHRM1 P11229 1/20 0.85
CHRM3 P20309 1/20 0.85
FECH P22830 1/20 0.85
KDR P35968 1/20 0.85
MAP2K2 P36507 1/20 0.85
TGFBR2 P37173 1/20 0.85
NEK2 P51955 1/20 0.85
MAP2K1 Q02750 1/20 0.85
TNK2 Q07912 1/20 0.85

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
SCHEMBL21624560 1.00 BRAF (0.85) BRAFRIPK2ABCB11EGFRKRAS
SCHEMBL29898552 0.93 BRAF (0.85) BRAFRIPK2ABCB11EGFRKRAS
SCHEMBL299002 0.93 BRAF (0.85) BRAFRIPK2ABCB11EGFRKRAS
SCHEMBL298927 0.93 BRAF (0.89) BRAFRIPK2ABCB11EGFRKRAS
SCHEMBL299099 0.93 BRAF (0.86) BRAFRIPK2ABCB11EGFRKRAS
SCHEMBL298188 0.92 CYP2C19 (0.78) BRAFRIPK2ABCB11EGFRKRAS
SCHEMBL12891936 0.92 BRAF (1.00) BRAFRIPK2ABCB11EGFRKRAS
SCHEMBL855840 0.92 BRAF (0.87) BRAFRIPK2ABCB11EGFRKRAS
SCHEMBL298373 0.92 BRAF (0.87) BRAFRIPK2ABCB11EGFRKRAS
SCHEMBL30866622 0.92 BRAF (0.87) BRAFRIPK2ABCB11EGFRKRAS

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 BRAF 65/4885RIPK2 80/4885ABCB11 1598/4885

“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.