SCHEMBL3081896

SCHEMBL3081896

Nc1cc(-c2ccc(Br)cc2)sc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.63
KDM4E B2RXH2 9/20 0.63
RAB9A P51151 6/20 0.63
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
NPC1 O15118 5/20 0.63
CYP1A2 P05177 3/20 0.63
CYP2C9 P11712 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
CYP2C19 P33261 2/20 0.63
RECQL P46063 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
IKBKB O14920 6/20 0.57
CYP3A4 P08684 2/20 0.57
BTK Q06187 1/20 0.57
LMNA P02545 1/20 0.55
PKM P14618 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
CHUK O15111 1/20 0.54
ALDH1A1 P00352 6/20 0.53

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
SCHEMBL875389 0.86 IKBKB (0.60) MAPTKDM4ERAB9AMEN1KMT2A
SCHEMBL29906389 0.86 IKBKB (0.60) MAPTKDM4ERAB9AMEN1KMT2A
SCHEMBL2044907 0.84 IKBKB (0.77) MAPTKDM4ERAB9AMEN1KMT2A
SCHEMBL15881509 0.83 MAPT (0.59) MAPTKDM4ERAB9AMEN1KMT2A
SCHEMBL1144476 0.83 IKBKB (0.77) MAPTKDM4ERAB9AMEN1KMT2A
SCHEMBL2313705 0.83 IKBKB (0.77) MAPTKDM4ERAB9AMEN1KMT2A
SCHEMBL2158576 0.83 IKBKB (0.75) MAPTKDM4ERAB9AMEN1KMT2A
SCHEMBL5192759 0.81 IKBKB (0.55) MAPTKDM4ERAB9AMEN1KMT2A
SCHEMBL5193028 0.81 IKBKB (0.78) MAPTKDM4ERAB9AMEN1KMT2A
SCHEMBL611877 0.80 CDC7 (0.77) MAPTKDM4ERAB9AMEN1KMT2A

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
WO-2014111666-A1 THIENO[3,2-D]PYRIMIDIN-4(3H)-ONE DERIVATIVES AND THE PREPARATION AND PHARMACEUTICAL USES THEREOF UNIVERSITE D'AIX-MARSEILLE (FR) 2014-07-24 WO disclosed
US-8193372-B2 Phosphothiophene and phosphothiazole HCV polymerase inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-06-05 US 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 MAPT 1176/4885KDM4E 2286/4885RAB9A 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.