SCHEMBL1723830

SCHEMBL1723830

c1ccc(COc2ccc(-c3cccs3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.59
NR4A2 P43354 2/20 0.55
PPARG P37231 1/20 0.55
PPARA Q07869 1/20 0.55
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAOB P27338 3/20 0.53
GSTP1 P09211 1/20 0.53
RAB9A P51151 3/20 0.51
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51

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
SCHEMBL27704705 0.86 FFAR1 (0.58) FFAR1NR4A2MAOBRAB9AGAA
SCHEMBL23641504 0.83 CYP17A1 (0.51) FFAR1PPARGPPARACYP1A2CYP2C19
SCHEMBL14082930 0.83 RAB9A (0.69) FFAR1LMNARAB9ASMN1; SMN2MAPT
SCHEMBL19243142 0.81 FFAR1 (0.51) FFAR1PPARGPPARALTA4HBCHE
SCHEMBL197017 0.80 LMNA (0.72) FFAR1NR4A2LMNACYP1A2PTGS1
SCHEMBL17049364 0.78 C5AR1 (0.53) FFAR1LTA4HKCNH2
SCHEMBL23483029 0.78 LMNA (0.69) FFAR1NR4A2LMNACYP1A2PTGS1
SCHEMBL1096817 0.78 LMNA (0.69) FFAR1NR4A2LMNACYP1A2PTGS1
SCHEMBL27367676 0.78 LMNA (0.82) NR4A2LMNACYP1A2PTGS1SLC6A2
SCHEMBL339813 0.78 LMNA (0.82) NR4A2LMNACYP1A2PTGS1SLC6A2

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
CN-104817553-B The pyrimidinediamine class compound and its derivative and its medical usage of a kind of aromatic radical-heterocyclic substituted 华东师范大学 2018-11-09 CN disclosed
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 FFAR1 4662/4885NR4A2 2124/4885PPARG 1271/4885

“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.