SCHEMBL616378

SCHEMBL616378

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 9/20 0.35
DGAT1 O75907 2/20 0.32
F11 P03951 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
P2RY14 Q15391 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE10A Q9Y233 1/20 0.31
RORC P51449 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
SCHEMBL614453 0.88 SUV39H2 (0.32) SUV39H2DGAT1F11CA12CA1
SCHEMBL615715 0.88 SUV39H2 (0.35) SUV39H2DGAT1F11PDE10A
SCHEMBL616377 0.81 F11 (0.33) SUV39H2DGAT1F11
SCHEMBL614452 0.80 F11 (0.33) SUV39H2DGAT1F11
SCHEMBL613079 0.78 F11 (0.32) SUV39H2F11
SCHEMBL613078 0.78 F11 (0.32) SUV39H2F11
SCHEMBL29053536 0.78 ELANE (0.37) DGAT1F11
SCHEMBL15772797 0.78 F11 (0.34) SUV39H2F11
SCHEMBL616931 0.78 F11 (0.34) SUV39H2F11
SCHEMBL616158 0.77 DGAT1 (0.34) SUV39H2DGAT1F11P2RY14PDE10A

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

“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.