SCHEMBL614453

SCHEMBL614453

COC(=O)Nc1ccc(-c2cn(COCC[Si](C)(C)C)c(CCC=CNC(=O)OC(C)(C)C)n2)c(NC(=O)C(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 6/20 0.32
P2RY14 Q15391 1/20 0.31
AGPAT2 O15120 1/20 0.31
DGAT1 O75907 1/20 0.31
MAP4K1 Q92918 1/20 0.31
F11 P03951 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 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
SCHEMBL29053495 0.90 DGAT1 (0.34) SUV39H2P2RY14AGPAT2DGAT1F11
SCHEMBL616158 0.90 DGAT1 (0.34) SUV39H2P2RY14AGPAT2DGAT1F11
SCHEMBL616378 0.88 SUV39H2 (0.35) SUV39H2P2RY14DGAT1F11CA12
SCHEMBL614225 0.88 DGAT1 (0.33) SUV39H2P2RY14DGAT1F11
SCHEMBL613660 0.88 SUV39H2 (0.33) SUV39H2P2RY14DGAT1F11
SCHEMBL616281 0.88 MAP4K1 (0.31) MAP4K1
SCHEMBL613417 0.87 DGAT1 (0.32) SUV39H2DGAT1F11CA12CA1
SCHEMBL617069 0.87 F11 (0.33) SUV39H2P2RY14AGPAT2DGAT1F11
SCHEMBL616491 0.87 MAP4K1 (0.31) MAP4K1
SCHEMBL613500 0.87 P2RY14 (0.30) P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
EP-3786165-A1 SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2021-03-03 EP disclosed
EP-2534154-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP disclosed
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB (US) 2020-03-19 US disclosed
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
US-9802939-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-31 US disclosed
US-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-23 US disclosed
US-8940720-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
EP-2534154-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
WO-2011100401-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO 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 (7 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-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SUV39H2 3150/4885P2RY14 2614/4885AGPAT2 3681/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SUV39H2 3150/4885P2RY14 2614/4885AGPAT2 3681/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SUV39H2 3150/4885P2RY14 2614/4885AGPAT2 3681/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 SUV39H2 3150/4885P2RY14 2614/4885AGPAT2 3681/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 SUV39H2 3150/4885P2RY14 2614/4885AGPAT2 3681/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SUV39H2 3150/4885P2RY14 2614/4885AGPAT2 3681/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SUV39H2 3150/4885P2RY14 2614/4885AGPAT2 3681/4885

“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.