SCHEMBL1723308

SCHEMBL1723308

c1csc(-c2ccc(-c3cc4ccccc4s3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.64
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
ERN1 O75460 2/20 0.48
LTA4H P09960 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ESR1 P03372 3/20 0.45
ESR2 Q92731 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KCNH2 Q12809 1/20 0.44
RPS6KB2 Q9UBS0 1/20 0.43
MAPT P10636 2/20 0.43
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
MEN1 O00255 1/20 0.41

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) APPCA1CA2CA9HSD17B1
SCHEMBL27159530 0.87 APP (0.81) APPCA1CA2CA9HSD17B1
SCHEMBL32677328 0.87 APP (0.81) APPCA1CA2CA9HSD17B1
SCHEMBL1723309 0.82 APP (0.46) APPCA1CA2CA9HSD17B1
SCHEMBL16080115 0.82 DPP4 (0.46) APPCA1CA2CA9HSD17B1
SCHEMBL23555697 0.81 APP (0.72) APPCA1CA2CA9HSD17B1
SCHEMBL5768436 0.81 APP (0.72) APPCA1CA2CA9HSD17B1
SCHEMBL29766071 0.81 APP (0.71) APPCA1CA2CA9HSD17B1
SCHEMBL163523 0.81 APP (0.71) APPCA1CA2CA9HSD17B1
Bromide SCHEMBL31564934 0.79 APP (0.69) APPCA1CA2CA9HSD17B1

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 4631/4885CA1 4370/4885CA2 4422/4885

“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.