SCHEMBL18690178

SCHEMBL18690178

C=CCCCc1cc(NC(=O)OC)ccc1-c1cn(COCC[Si](C)(C)C)c([C@H](CC=C)NC(=O)O)n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F11 P03951 2/20 0.35
NQO2 P16083 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
DGAT1 O75907 1/20 0.30
KLKB1 P03952 1/20 0.30

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
SCHEMBL18690155 0.92 F11 (0.33) F11DGAT1
SCHEMBL15456366 0.88 F11 (0.37) F11DGAT1KLKB1
SCHEMBL616512 0.87 DGAT1 (0.34) DGAT1KLKB1
SCHEMBL15771368 0.87 F11 (0.35) F11DGAT1
SCHEMBL15771208 0.85 F11 (0.36) F11NQO2MTNR1AMTNR1BDGAT1
SCHEMBL614044 0.84 F11 (0.33) F11DGAT1
SCHEMBL15771159 0.84 F11 (0.35) F11DGAT1KLKB1
SCHEMBL16974660 0.83 F11 (0.34) F11NQO2MTNR1AMTNR1BDGAT1
SCHEMBL15771664 0.83 F11 (0.34) F11
SCHEMBL15916234 0.83 F11 (0.34) F11

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-3099686-B1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-03-11 EP disclosed
US-9777001-B2 Macrocycles with aromatic P2′ groups as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-20170096429-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-06 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-20170096429-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 F11 6/4885NQO2 2911/4885MTNR1A 4120/4885

“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.