SCHEMBL9965167

SCHEMBL9965167

COC(=O)c1sc(C(C)(C)C)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C1CCC(=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.39
RAF1 P04049 14/20 0.37
MAPK14 Q16539 8/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL173174 1.00 NR1I2 (0.39) NR1I2RAF1MAPK14MAPK13MAPK12
SCHEMBL12949400 0.92 NR1I2 (0.41) NR1I2RAF1MAPK14MAPK13MAPK12
SCHEMBL14669348 0.91 RAF1 (0.36) NR1I2RAF1MAPK14MAPK13MAPK12
SCHEMBL173100 0.90 RAF1 (0.38) NR1I2RAF1MAPK14MAPK13MAPK12
SCHEMBL12949453 0.90 RAF1 (0.38) NR1I2RAF1MAPK14MAPK13MAPK12
SCHEMBL12520075 0.90 NR1I2 (0.40) NR1I2RAF1MAPK14MAPK13MAPK12
SCHEMBL12945313 0.90 RAF1 (0.38) NR1I2RAF1MAPK14MAPK13MAPK12
SCHEMBL12514339 0.89 NR1I2 (0.48) NR1I2
SCHEMBL9965223 0.89 NR1I2 (0.48) NR1I2
SCHEMBL173156 0.88 NR1I2 (0.37) NR1I2RAF1MAPK14MAPK13MAPK12

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523951-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-04-22 EP disclosed
WO-2013016490-A1 THIOPHENE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-31 WO disclosed
WO-2013016491-A1 THIOPHENE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-31 WO disclosed
WO-2013016492-A1 THIOPHENE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-31 WO disclosed
WO-2013016501-A1 FORMULATIONS OF THIOPHENE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-31 WO disclosed
WO-2013016499-A1 METHODS FOR PREPARATION OF THIOPHENE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-31 WO disclosed
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
WO-2012006070-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 WO disclosed
US-20110178058-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-07-21 US disclosed
US-20110178129-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-07-21 US disclosed
WO-2011031669-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-03-17 WO disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 US disclosed
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 WO 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 (4 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-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NR1I2 88/4885RAF1 1470/4885MAPK14 2109/4885
US-20110178058-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NR1I2 88/4885RAF1 1470/4885MAPK14 2109/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NR1I2 88/4885RAF1 1470/4885MAPK14 2109/4885
US-20110178129-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NR1I2 88/4885RAF1 1470/4885MAPK14 2109/4885

“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.