SCHEMBL615257

SCHEMBL615257

C=CC[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(NC(=O)OC)cc2OCCC(C)C=C)cn1COCC[Si](C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 3/20 0.32
F11 P03951 1/20 0.32
AAK1 Q2M2I8 5/20 0.31
DGAT1 O75907 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 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
SCHEMBL615227 0.91 F11 (0.33) SUV39H2F11AAK1DGAT1LMNA
SCHEMBL30480729 0.89 F11 (0.35) SUV39H2F11AAK1DGAT1LMNA
SCHEMBL616157 0.89 F11 (0.35) SUV39H2F11AAK1DGAT1LMNA
SCHEMBL30480752 0.87 DGAT1 (0.30) DGAT1
SCHEMBL613659 0.87 F11 (0.34) SUV39H2F11AAK1DGAT1LMNA
SCHEMBL614224 0.87 F11 (0.34) SUV39H2F11AAK1DGAT1LMNA
SCHEMBL29053462 0.87 F11 (0.34) SUV39H2F11AAK1DGAT1LMNA
SCHEMBL29053470 0.87 F11 (0.34) SUV39H2F11AAK1DGAT1LMNA
SCHEMBL613416 0.86 F11 (0.34) SUV39H2F11AAK1DGAT1LMNA
SCHEMBL617068 0.86 F11 (0.35) SUV39H2F11DGAT1LMNAGAA

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 3150/4885F11 3/4885AAK1 896/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SUV39H2 3150/4885F11 3/4885AAK1 896/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SUV39H2 3150/4885F11 3/4885AAK1 896/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 SUV39H2 3150/4885F11 3/4885AAK1 896/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 SUV39H2 3150/4885F11 3/4885AAK1 896/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SUV39H2 3150/4885F11 3/4885AAK1 896/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SUV39H2 3150/4885F11 3/4885AAK1 896/4885

“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.