SCHEMBL1950649

SCHEMBL1950649

COC(COc1ccc2c(Cl)cc(-c3nc(C(C)C)cs3)nc2c1C)OC

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CTSS P25774 1/20 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
SCHEMBL1953278 0.91
SCHEMBL1954615 0.88 CTSS (0.32) CTSS
SCHEMBL874861 0.87 CTSS (0.36) NPC1RAB9ACTSS
SCHEMBL1952055 0.82
SCHEMBL12549142 0.80 TYK2 (0.32)
SCHEMBL996629 0.79 ALDH1A1 (0.33) NPC1RAB9ACTSS
SCHEMBL1954277 0.78 TRPV1 (0.33) NPC1RAB9A
SCHEMBL7944203 0.77 CTSS (0.40) NPC1RAB9ACTSS
SCHEMBL883446 0.76 MAPT (0.38) NPC1RAB9ACTSS
SCHEMBL13336763 0.75 CTSS (0.37) NPC1RAB9ACTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927484-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2015-01-06 US disclosed
US-8927484-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2015-01-06 US disclosed
US-8927484-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2015-01-06 US disclosed
US-20110135599-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 US disclosed
US-20110135599-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 US disclosed
US-20110135599-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 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 (1 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-20110135599-A1 ANTIVIRAL COMPOUNDS EIF2AK2, MAVS, HAVCR2 NPC1 210/4885RAB9A 1720/4885CTSS 1461/4885

“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.