SCHEMBL2218006

SCHEMBL2218006

COC(=O)c1sc(C#CC(C)(C)C)cc1NC1CCC2(CC1)CO2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.34
CYP2E1 P05181 1/20 0.32
CHEK1 O14757 1/20 0.32
CHEK2 O96017 1/20 0.32
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
NR1I2 O75469 2/20 0.31

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
SCHEMBL12444667 1.00 RAF1 (0.34) RAF1CYP2E1CHEK1CHEK2RAB9A
SCHEMBL12444669 1.00 RAF1 (0.34) RAF1CYP2E1CHEK1CHEK2RAB9A
SCHEMBL14669356 0.92 CYP2E1 (0.32) RAF1CYP2E1RAB9ASMN1; SMN2NR1I2
SCHEMBL669322 0.90 ALDH1A1 (0.33) RAF1CYP2E1RAB9ASMN1; SMN2KDM4E
SCHEMBL669880 0.89 RAF1 (0.36) RAF1CYP2E1RAB9ASMN1; SMN2KDM4E
SCHEMBL1963295 0.86 CYP2E1 (0.39) RAF1CYP2E1RAB9ASMN1; SMN2KDM4E
SCHEMBL1960225 0.85 RAF1 (0.34) RAF1KDM4EHTTATMNR1I2
SCHEMBL1960222 0.85 RAF1 (0.34) RAF1KDM4EHTTATMNR1I2
SCHEMBL669498 0.84 NR1I2 (0.34) RAF1CYP2E1RAB9ASMN1; SMN2KDM4E
SCHEMBL102080 0.83 CHEK1 (0.42) RAF1CYP2E1CHEK1CHEK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3219713-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2017-09-20 EP disclosed
EP-2523950-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2017-03-15 EP disclosed
US-9321753-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2016-04-26 US disclosed
US-20130315861-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. 2013-11-28 US disclosed
US-8513298-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
EP-2523950-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2012-11-21 EP disclosed
US-20110178129-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-07-21 US disclosed
WO-2011088345-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-07-21 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-20130315861-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 RAF1 1470/4885CYP2E1 6/4885CHEK1 4164/4885
US-20110178129-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 RAF1 1470/4885CYP2E1 6/4885CHEK1 4164/4885

“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.