SCHEMBL10256358

SCHEMBL10256358

C=CCCCc1ccccc1-c1cn(COCC[Si](C)(C)C)c([C@H](CC=C)NC(=O)OC(C)(C)C)n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.31
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADRB2 P07550 1/20 0.31
HTR1A P08908 1/20 0.31
MAPT P10636 2/20 0.31
PDE10A Q9Y233 2/20 0.30
PDPK1 O15530 1/20 0.30
CCNB2 O95067 1/20 0.30
PRKCB P05771 1/20 0.30
CDK1 P06493 1/20 0.30
LYN P07948 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
GSK3B P49841 1/20 0.30
RPS6KA3 P51812 1/20 0.30
CCNA1 P78396 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
SCHEMBL29053509 1.00 DGAT1 (0.31) DGAT1CTSSCTSKALDH1A1SMN1; SMN2
SCHEMBL30193853 1.00 DGAT1 (0.31) DGAT1CTSSCTSKALDH1A1SMN1; SMN2
SCHEMBL616512 0.90 DGAT1 (0.34) DGAT1PDE10A
SCHEMBL18690155 0.88 F11 (0.33) DGAT1
SCHEMBL29053464 0.87 DGAT1 (0.33) DGAT1CTSSCTSKADRB2HTR1A
SCHEMBL615297 0.87 DGAT1 (0.33) DGAT1CTSSCTSKADRB2HTR1A
SCHEMBL615763 0.87 DGAT1 (0.33) DGAT1ALDH1A1SMN1; SMN2MAPTPDE10A
SCHEMBL30194073 0.87 CTSS (0.33) DGAT1CTSSCTSKALDH1A1SMN1; SMN2
SCHEMBL10290172 0.87 CTSS (0.33) DGAT1CTSSCTSKALDH1A1SMN1; SMN2
SCHEMBL29053524 0.87 DGAT1 (0.33) DGAT1ALDH1A1SMN1; SMN2MAPTPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-9777001-B2 Macrocycles with aromatic P2′ groups as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9745313-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-29 US disclosed
US-20170096429-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-06 US disclosed
US-20160362414-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-15 US disclosed
US-9453029-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 US disclosed
US-20150266894-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-24 US disclosed
US-20150266894-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-24 US disclosed
US-9079918-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 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
US-20140343276-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-20 US disclosed
US-8828983-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-09 US disclosed
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US 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 (10 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 DGAT1 4152/4885CTSS 213/4885CTSK 85/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 DGAT1 4152/4885CTSS 213/4885CTSK 85/4885
US-20140343276-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 DGAT1 4152/4885CTSS 213/4885CTSK 85/4885
US-20150266894-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 DGAT1 4152/4885CTSS 213/4885CTSK 85/4885
US-20160362414-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 DGAT1 4152/4885CTSS 213/4885CTSK 85/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 DGAT1 4152/4885CTSS 213/4885CTSK 85/4885
US-20170096429-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 DGAT1 4794/4885CTSS 243/4885CTSK 91/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 DGAT1 4152/4885CTSS 213/4885CTSK 85/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 DGAT1 4152/4885CTSS 213/4885CTSK 85/4885
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 DGAT1 4152/4885CTSS 213/4885CTSK 85/4885

“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.