SCHEMBL13227828

SCHEMBL13227828

S=C=NC1CCCCCCCCCCC1C1CCCCCCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.41
EPHX1 P07099 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL11486002 0.98 APLNR (0.39) APLNREPHX1HIF1A
SCHEMBL11492207 0.98 APLNR (0.39) APLNREPHX1HIF1A
SCHEMBL11485996 0.98 APLNR (0.39) APLNREPHX1HIF1A
SCHEMBL11485998 0.98 APLNR (0.39) APLNREPHX1HIF1A
SCHEMBL11492208 0.98 APLNR (0.39) APLNREPHX1HIF1A
SCHEMBL4048773 0.78 ALDH1A1 (0.48) EPHX1HIF1A
SCHEMBL11508353 0.78 APLNR (0.50) APLNREPHX1HIF1A
SCHEMBL5439892 0.74 ALDH1A1 (0.43)
SCHEMBL11582155 0.71 APLNR (0.39) APLNREPHX1HIF1A
SCHEMBL13310980 0.71 APLNR (0.42) APLNREPHX1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329718-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 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-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 APLNR 949/4885EPHX1 917/4885HIF1A 3405/4885

“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.