SCHEMBL9932376

SCHEMBL9932376

COC(=O)c1sc(C#CC(C)(C)C)cc1NC1CCP(=O)(OC)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
NR1I2 O75469 2/20 0.31
CYP2E1 P05181 1/20 0.31
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 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
SCHEMBL669880 0.90 RAF1 (0.36) RAF1KDM4EHTTATMNR1I2
SCHEMBL1960225 0.86 RAF1 (0.34) RAF1KDM4EHTTATMNR1I2
SCHEMBL1960222 0.86 RAF1 (0.34) RAF1KDM4EHTTATMNR1I2
SCHEMBL669498 0.85 NR1I2 (0.34) RAF1KDM4EHTTATMNR1I2
SCHEMBL1963295 0.85 CYP2E1 (0.39) RAF1KDM4EHTTATMNR1I2
SCHEMBL102080 0.84 CHEK1 (0.42) RAF1KDM4EHTTATMNR1I2
SCHEMBL12814781 0.83 NR1I2 (0.36) NR1I2CYP2E1
SCHEMBL12444667 0.82 RAF1 (0.34) RAF1KDM4EHTTATMNR1I2
SCHEMBL668399 0.82 CYP2E1 (0.37) KDM4EHTTATMNR1I2CYP2E1
SCHEMBL12444669 0.82 RAF1 (0.34) RAF1KDM4EHTTATMNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507249-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-11-11 EP disclosed
EP-2507249-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-11-11 EP disclosed
US-8765722-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-07-01 US disclosed
US-8765722-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-07-01 US disclosed
US-8765722-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-07-01 US disclosed
US-20130302280-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. 2013-11-14 US disclosed
US-20130302280-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. 2013-11-14 US disclosed
US-20130302280-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. 2013-11-14 US disclosed
US-8501714-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-06 US disclosed
US-8501714-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-06 US disclosed
US-8501714-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-06 US disclosed
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
WO-2011031669-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-03-17 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 (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-20130302280-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 RAF1 1470/4885KDM4E 1933/4885HTT 4622/4885
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 RAF1 1470/4885KDM4E 1933/4885HTT 4622/4885

“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.