SCHEMBL2877421

SCHEMBL2877421

COc1ccc(-c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
PKM P14618 3/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
EPHX2 P34913 1/20 0.59
P2RY1 P47900 7/20 0.59
MAPT P10636 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
STING1 Q86WV6 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
KIT P10721 2/20 0.53
KDR P35968 2/20 0.53
FLT3 P36888 2/20 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
SCHEMBL2877898 0.94 EPHX2 (0.68) NPC1RAB9AEPHX2P2RY1STING1
SCHEMBL2878559 0.91 MAPT (0.59) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL14640383 0.91 EPHX2 (0.59) EPHX2P2RY1STING1CA12CA1
SCHEMBL2872551 0.90 EPHX2 (0.62) NPC1RAB9AEPHX2P2RY1STING1
SCHEMBL2874170 0.90 P2RY1 (0.59) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL2878243 0.90 P2RY1 (0.56) EPHX2P2RY1STING1CA12CA1
SCHEMBL2875049 0.88 P2RY1 (0.57) NPC1RAB9AEPHX2P2RY1STING1
SCHEMBL2875822 0.88 P2RY1 (0.60) EPHX2P2RY1STING1CA12CA1
SCHEMBL2877993 0.88 EPHX2 (0.59) EPHX2P2RY1STING1CA12CA1
SCHEMBL2872767 0.88 EPHX2 (0.59) RAB9APKMEPHX2P2RY1MAPT

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-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
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-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 NPC1 3676/4885RAB9A 3132/4885SMN1; SMN2 3817/4885

“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.