SCHEMBL6264668

SCHEMBL6264668

O=C(O)COc1cc(-c2ccc(F)cc2)sc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.52
PTPRF P10586 1/20 0.52
PKM P14618 1/20 0.49
IKBKB O14920 4/20 0.48
CHUK O15111 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTGDR2 Q9Y5Y4 3/20 0.47
PTGDR Q13258 1/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FFAR1 O14842 1/20 0.44
PPARD Q03181 1/20 0.44
MAP3K8 P41279 1/20 0.43
TUBB4A P04350 1/20 0.43

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
SCHEMBL3910841 0.87 PTPN1 (0.53) PTPN1PTPRFIKBKBCYP1A2CYP3A4
SCHEMBL3911638 0.83 PTPRF (0.53) PTPN1PTPRFPTGDR2PPARD
SCHEMBL3916115 0.77 IKBKB (0.57) PTPN1PKMIKBKBCYP1A2CYP3A4
SCHEMBL17226334 0.75 PTPN1 (0.56) PTPN1IKBKBCHUKCYP1A2CYP3A4
SCHEMBL2313705 0.74 IKBKB (0.77) PTPN1PKMIKBKBCHUKCYP1A2
SCHEMBL3601307 0.74 PTPN1 (0.58) PTPN1PTPRFIKBKBCHUKCYP1A2
SCHEMBL3906261 0.74 HPGD (0.47) PTPN1PTPRFPTGDR2KDM4ESMN1; SMN2
SCHEMBL11625356 0.72 TDP1 (0.47) PTPN1PTPRFCYP2C19PTGDR2PTGDR
SCHEMBL9826543 0.72 MAPT (0.56) PTPN1PTPRFPKMIKBKBCYP1A2
SCHEMBL6348871 0.72 PTPN1 (0.56) PTPN1PTPRFIKBKBCHUKCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592421-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2005-11-09 EP claimed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 WO claimed
WO-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed