SCHEMBL14726870

SCHEMBL14726870

COC(=O)c1sc(C(C)(C)C)cc1NC(C)C

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 17/20 0.56
MAPK14 Q16539 8/20 0.56
MAPK13 O15264 1/20 0.56
MAPK12 P53778 1/20 0.56
MAPK11 Q15759 1/20 0.56

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
SCHEMBL14467713 0.83 RAF1 (0.60) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL10265162 0.83 RAF1 (0.52) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL10265424 0.81 MAPK14 (0.47) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13425471 0.80 RAF1 (0.65) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL10308320 0.80 RAF1 (0.69) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL10264461 0.80 RAF1 (0.46) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL10264610 0.80 RAF1 (0.48) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL11886208 0.80 RAF1 (0.43) RAF1MAPK14
SCHEMBL12514098 0.79 RAF1 (0.56) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL669321 0.78 RAF1 (0.39) RAF1MAPK14MAPK13MAPK12MAPK11

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-20130052161-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2013-02-28 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-20130052161-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 RAF1 1034/4885MAPK14 2075/4885MAPK13 2169/4885

“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.