SCHEMBL936987

SCHEMBL936987

COC(=O)c1sc(C#CC(C)(C)C)cc1N[C@H]1CC[C@H](OC2CCOC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.33
ACACB O00763 2/20 0.33
ACACA Q13085 1/20 0.33
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
PDE4D Q08499 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL937847 1.00 CYP2E1 (0.33) CYP2E1ACACBACACAMAPK8MAPK9
SCHEMBL939840 1.00 CYP2E1 (0.33) CYP2E1ACACBACACAMAPK8MAPK9
SCHEMBL936988 1.00 CYP2E1 (0.33) CYP2E1ACACBACACAMAPK8MAPK9
SCHEMBL938315 1.00 CYP2E1 (0.33) CYP2E1ACACBACACAMAPK8MAPK9
SCHEMBL15015356 0.92 CYP2E1 (0.38) CYP2E1ACACBACACAPDE4D
SCHEMBL15015339 0.92 CYP2E1 (0.38) CYP2E1ACACBACACAPDE4D
SCHEMBL15015342 0.92 CYP2E1 (0.38) CYP2E1ACACBACACAPDE4D
SCHEMBL1963295 0.87 CYP2E1 (0.39) CYP2E1LRRK2
SCHEMBL15015264 0.87 CYP2E1 (0.42) CYP2E1
SCHEMBL12949303 0.87 CYP2E1 (0.42) CYP2E1

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 CYP2E1 6/4885ACACB 571/4885ACACA 486/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 CYP2E1 6/4885ACACB 571/4885ACACA 486/4885

“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.