SCHEMBL616663

SCHEMBL616663

C=CCC(NC(=O)OC(C)(C)C)C(=O)CC(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
CTSK P43235 8/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
CTSS P25774 3/20 0.40
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL616662 1.00 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL10256486 0.87 SMN1; SMN2 (0.45) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL8070420 0.86 SMN1; SMN2 (0.62) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL13950543 0.86 SMN1; SMN2 (0.62) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL20109261 0.84 SMN1; SMN2 (0.47) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL17695897 0.84 CYP1A2 (0.58) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL7519614 0.81 SMN1; SMN2 (0.44) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL4038634 0.81 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL15083313 0.81 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL16289367 0.81 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT

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 21 patents — showing the first 20. 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
EP-3099686-B1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-03-11 EP 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-20170096429-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-06 US disclosed
US-20170096429-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-06 US disclosed
EP-3099686-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2016-12-07 EP disclosed
WO-2015116885-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 WO disclosed
WO-2015116885-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 WO 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 (8 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 SMN1; SMN2 3689/4885CYP1A2 1596/4885CYP2C9 1012/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SMN1; SMN2 3689/4885CYP1A2 1596/4885CYP2C9 1012/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SMN1; SMN2 3689/4885CYP1A2 1596/4885CYP2C9 1012/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 SMN1; SMN2 3689/4885CYP1A2 1596/4885CYP2C9 1012/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 SMN1; SMN2 3689/4885CYP1A2 1596/4885CYP2C9 1012/4885
US-20170096429-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 SMN1; SMN2 4133/4885CYP1A2 960/4885CYP2C9 709/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SMN1; SMN2 3689/4885CYP1A2 1596/4885CYP2C9 1012/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SMN1; SMN2 3689/4885CYP1A2 1596/4885CYP2C9 1012/4885

“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.