SCHEMBL1723309

SCHEMBL1723309

c1csc(-c2ccccc2-c2cc3ccccc3s2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ATM Q13315 1/20 0.45
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOB P27338 1/20 0.44
RPS6KB2 Q9UBS0 1/20 0.43
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
CYP19A1 P11511 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
NQO1 P15559 1/20 0.41
NQO2 P16083 1/20 0.41
LTA4H P09960 1/20 0.40
ADORA1 P30542 2/20 0.40
ADORA2A P29274 1/20 0.40
CHRM2 P08172 1/20 0.39

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
SCHEMBL8070433 0.87 APP (0.50) APPNPC1RAB9AATMKDM4E
SCHEMBL19133572 0.87 APP (0.57) APPHSD17B1HSD17B2CYP19A1CA1
SCHEMBL12854022 0.85 APP (0.55) APPHSD17B1HSD17B2CYP19A1CA1
SCHEMBL1723308 0.82 APP (0.64) APPNPC1RAB9AKDM4EL3MBTL1
SCHEMBL16080115 0.82 DPP4 (0.46) APPNPC1RAB9AKDM4EL3MBTL1
SCHEMBL27989389 0.78 APP (0.57) APPHSD17B1HSD17B2CYP19A1CA1
SCHEMBL995326 0.78 LTA4H (0.55) NPC1RAB9AATMKDM4EL3MBTL1
SCHEMBL22363255 0.78 APP (0.53) APPHSD17B1HSD17B2CYP19A1CA1
SCHEMBL7961425 0.77 NPC1 (0.39) APPNPC1RAB9AATMKDM4E
SCHEMBL845603 0.76 APP (0.63) APPHSD17B1HSD17B2CYP19A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403860-B1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE AS HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-8193372-B2 Phosphothiophene and phosphothiazole HCV polymerase inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
EP-2403860-A2 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE AS HCV POLYMERASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-01-11 EP disclosed
US-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
WO-2010101967-A2 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-09-10 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 (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-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS PPP3CB, POLR2E, PSAT1 APP 4631/4885NPC1 3712/4885RAB9A 3339/4885

“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.