SCHEMBL617069

SCHEMBL617069

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.33
P2RY14 Q15391 2/20 0.33
DGAT1 O75907 3/20 0.32
ACSS2 Q9NR19 1/20 0.32
SUV39H2 Q9H5I1 5/20 0.32
PDE10A Q9Y233 1/20 0.31
AGTR1 P30556 1/20 0.30
AGTR2 P50052 1/20 0.30
AGPAT2 O15120 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
SCHEMBL616158 0.93 DGAT1 (0.34) F11P2RY14DGAT1ACSS2SUV39H2
SCHEMBL29053495 0.93 DGAT1 (0.34) F11P2RY14DGAT1ACSS2SUV39H2
SCHEMBL613660 0.91 SUV39H2 (0.33) F11P2RY14DGAT1ACSS2SUV39H2
SCHEMBL614225 0.91 DGAT1 (0.33) F11P2RY14DGAT1ACSS2SUV39H2
SCHEMBL613417 0.90 DGAT1 (0.32) F11DGAT1ACSS2SUV39H2PDE10A
SCHEMBL614961 0.89 SUV39H2 (0.32) F11SUV39H2
SCHEMBL614045 0.88 SUV39H2 (0.32) F11DGAT1SUV39H2PDE10A
SCHEMBL614453 0.87 SUV39H2 (0.32) F11P2RY14DGAT1SUV39H2AGPAT2
SCHEMBL615228 0.87 SUV39H2 (0.32) F11DGAT1SUV39H2
SCHEMBL614354 0.86 SUV39H2 (0.32) DGAT1SUV39H2

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
CN-107973809-B Macrocyclic compounds as factor XIA inhibitors 百时美施贵宝公司 2023-06-30 CN 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-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 (6 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 F11 3/4885P2RY14 2614/4885DGAT1 4152/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885P2RY14 2614/4885DGAT1 4152/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885P2RY14 2614/4885DGAT1 4152/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 F11 3/4885P2RY14 2614/4885DGAT1 4152/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 F11 3/4885P2RY14 2614/4885DGAT1 4152/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885P2RY14 2614/4885DGAT1 4152/4885

“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.