SCHEMBL3150397

SCHEMBL3150397

O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1OCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 13/20 0.62
EPHX2 P34913 1/20 0.59
PPIA P62937 2/20 0.58
P2RY14 Q15391 2/20 0.56
P2RY2 P41231 1/20 0.55
STING1 Q86WV6 1/20 0.54
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
FPR2 P25090 1/20 0.51
IGF1R P08069 1/20 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
SCHEMBL3163849 0.96 PPIA (0.64) P2RY1EPHX2PPIAP2RY14P2RY2
SCHEMBL3157901 0.94 P2RY1 (0.57) P2RY1EPHX2PPIAP2RY14P2RY2
SCHEMBL3147715 0.93 P2RY1 (0.63) P2RY1EPHX2PPIAP2RY14P2RY2
SCHEMBL5176105 0.85 P2RY1 (0.59) P2RY1EPHX2PPIAP2RY14P2RY2
SCHEMBL12952782 0.83 BRD4 (0.52) P2RY1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2875663 0.81 P2RY1 (0.54) P2RY1EPHX2STING1FPR2IGF1R
SCHEMBL21810510 0.81 PPIA (0.76) PPIANPC1MAPTSMN1; SMN2
SCHEMBL7760029 0.81 NPC1 (0.67) PPIANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3158339 0.79 P2RY1 (0.86) P2RY1P2RY14P2RY2
SCHEMBL2877802 0.79 P2RY1 (0.54) P2RY1EPHX2STING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP claimed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US claimed
EP-1751113-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Bristol-Myers Squibb Pharma Company (US) 2007-02-14 EP claimed
WO-2005113511-A9 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2006-02-02 WO claimed
WO-2005113511-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 WO claimed
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US claimed
EP-4094762-A1 TREATMENT OF NEUROLOGICAL INDICATIONS UCL Business Ltd (GB) 2022-11-30 EP 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-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY2 P2RY1 1/4885EPHX2 1710/4885PPIA 3431/4885

“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.