SCHEMBL13035341

SCHEMBL13035341

CC[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc(F)c(Cl)c3)cccn12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.38
MAPK1 P28482 13/20 0.37
MT-CO2 P00403 2/20 0.36
KLKB1 P03952 1/20 0.36
TOP1 P11387 1/20 0.35
GUCY1B2 O75343 1/20 0.34
GUCY1A2 P33402 1/20 0.34
GUCY1A1 Q02108 1/20 0.34
GUCY1B1 Q02153 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL8192109 0.94 PDPK1 (0.38) PTGESKLKB1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL13035094 0.87 KDM4E (0.37) PTGESKLKB1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL13035259 0.87 MT-CO2 (0.36) MT-CO2KLKB1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL13035258 0.86 KDM4E (0.35) KLKB1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL13035041 0.85 HTT (0.45) MAPK1
SCHEMBL13035102 0.84 MAPK8 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL8192308 0.84 CYP2C9 (0.39) MAPK1KLKB1
SCHEMBL8196409 0.84 CYP2C9 (0.39) MAPK1KLKB1
SCHEMBL13035032 0.83 PIK3CA (0.46) KLKB1PIK3CA
SCHEMBL8197199 0.83 TNKS (0.39) MAPK1KLKB1GUCY1B2GUCY1A2GUCY1A1

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-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 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 (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-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 PTGES 2605/4885MAPK1 1/4885MT-CO2 3627/4885

“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.