SCHEMBL937253

SCHEMBL937253

COC(=O)c1sc(C#CC(C)(C)C)cc1NC(C)CCO

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 13/20 0.32
MAPK14 Q16539 8/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NR1I2 O75469 2/20 0.31
CYP2E1 P05181 1/20 0.30

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
SCHEMBL937254 1.00 RAF1 (0.32) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL1082972 0.88 NR1I2 (0.37) NR1I2CYP2E1
SCHEMBL14645197 0.86 RAF1 (0.35) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL936733 0.84 RAF1 (0.32) RAF1CYP2E1
SCHEMBL325318 0.84 RAF1 (0.31) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL10265133 0.84 NR1I2 (0.31) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL325319 0.84 RAF1 (0.31) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL15499679 0.81 KDM4E (0.34) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL319469 0.81 RAF1 (0.33) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL15130828 0.81 ALDH1A1 (0.36) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
EP-2475657-B1 5-ALKINYLTHIEN-2-YLCARBOXYLIC ACIDS AS INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2013-06-12 EP disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 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 (2 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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 RAF1 1470/4885MAPK14 2109/4885MAPK13 2214/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 RAF1 1470/4885MAPK14 2109/4885MAPK13 2214/4885

“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.