SCHEMBL615857

SCHEMBL615857

COC(=O)Nc1ccc(-c2cn(COCC[Si](C)(C)C)c(CCC[C@H](O)NC(=O)OC(C)(C)C)n2)c(N)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 7/20 0.34
F11 P03951 1/20 0.33
DGAT1 O75907 2/20 0.32
PDE10A Q9Y233 1/20 0.31
TLR7 Q9NYK1 1/20 0.30
KLKB1 P03952 1/20 0.30
MDM2 Q00987 1/20 0.30
HDAC3 O15379 2/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
NCOR2 Q9Y618 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
SCHEMBL614225 0.84 DGAT1 (0.33) SUV39H2F11DGAT1PDE10A
SCHEMBL29053484 0.83 F11 (0.34) SUV39H2F11DGAT1MDM2HDAC3
SCHEMBL615856 0.83 F11 (0.34) SUV39H2F11DGAT1MDM2HDAC3
SCHEMBL30480691 0.81 F11 (0.36) SUV39H2F11DGAT1MDM2
SCHEMBL16507846 0.81 F11 (0.36) SUV39H2F11DGAT1MDM2
SCHEMBL615764 0.81 F11 (0.36) SUV39H2F11DGAT1MDM2
SCHEMBL614224 0.80 F11 (0.34) SUV39H2F11DGAT1HDAC3HDAC1
SCHEMBL29053470 0.80 F11 (0.34) SUV39H2F11DGAT1HDAC3HDAC1
SCHEMBL613848 0.79 L3MBTL1 (0.43) F11DGAT1TLR7
SCHEMBL613847 0.79 F11 (0.39) F11DGAT1MDM2

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
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 3150/4885F11 3/4885DGAT1 4152/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SUV39H2 3150/4885F11 3/4885DGAT1 4152/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SUV39H2 3150/4885F11 3/4885DGAT1 4152/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 SUV39H2 3150/4885F11 3/4885DGAT1 4152/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 SUV39H2 3150/4885F11 3/4885DGAT1 4152/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SUV39H2 3150/4885F11 3/4885DGAT1 4152/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SUV39H2 3150/4885F11 3/4885DGAT1 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.