SCHEMBL2875384

SCHEMBL2875384

COc1ccc(-c2cc3ccccc3[nH]2)c(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 10/20 0.80
STING1 Q86WV6 1/20 0.53
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
EPHX2 P34913 2/20 0.48
IGF1R P08069 2/20 0.48
NTRK1 P04629 2/20 0.45
NTRK2 Q16620 2/20 0.45
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2873026 0.90 P2RY1 (0.80) P2RY1STING1NPC1RAB9AEPHX2
SCHEMBL13093321 0.89 P2RY1 (0.81) P2RY1STING1NPC1RAB9AEPHX2
SCHEMBL2878288 0.89 P2RY1 (1.00) P2RY1STING1NPC1RAB9AEPHX2
SCHEMBL2873021 0.89 P2RY1 (0.80) P2RY1STING1EPHX2IGF1R
SCHEMBL13437622 0.88 P2RY1 (0.61) P2RY1NPC1RAB9AIGF1RNTRK1
SCHEMBL2880366 0.83 P2RY1 (0.81) P2RY1STING1NPC1RAB9AEPHX2
SCHEMBL2877891 0.79 P2RY1 (0.77) P2RY1STING1EPHX2IGF1R
SCHEMBL2872744 0.79 P2RY1 (1.00) P2RY1STING1NPC1RAB9AEPHX2
SCHEMBL2874170 0.75 P2RY1 (0.59) P2RY1STING1NPC1RAB9AEPHX2
SCHEMBL13437628 0.74 P2RY1 (0.59) P2RY1STING1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899299-B1 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-10-20 EP claimed
EP-1899299-B1 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-10-20 EP disclosed
EP-1899299-B1 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-10-20 EP disclosed
US-7700620-B2 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-20 US disclosed
US-7700620-B2 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-20 US disclosed
EP-1899299-A2 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Brystol-Myers Squibb Company (US) 2008-03-19 EP disclosed
WO-2007002635-A2 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20060293336-A1 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 US 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-20060293336-A1 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY11, P2RY1, P2RY13 P2RY1 2/4885STING1 1302/4885NPC1 3676/4885

“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.