SCHEMBL614302

SCHEMBL614302

C=CCC(NC(=O)OC(C)(C)C)c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.46
CTSK P43235 3/20 0.46
CTSB P07858 1/20 0.46
MAPT P10636 1/20 0.46
AAK1 Q2M2I8 11/20 0.43
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL30271848 1.00 CTSS (0.46) CTSSCTSKCTSBMAPTAAK1
SCHEMBL16971421 1.00 CTSS (0.46) CTSSCTSKCTSBMAPTAAK1
SCHEMBL10256407 0.87 MAPT (0.47) CTSSCTSKMAPTAAK1
SCHEMBL29833640 0.86 CTSK (0.46) CTSSCTSKMAPTAAK1SMN1; SMN2
SCHEMBL29676847 0.85 CTSS (0.49) CTSSCTSKCTSBAAK1
SCHEMBL4838536 0.85 CTSS (0.49) CTSSCTSKCTSBAAK1
SCHEMBL4704028 0.85 CTSS (0.49) CTSSCTSKCTSBAAK1
SCHEMBL4838542 0.85 CTSS (0.49) CTSSCTSKCTSBAAK1
SCHEMBL16410292 0.84 CTSS (0.48) CTSSCTSKCTSBAAK1
SCHEMBL16971954 0.84 MAPT (0.44) CTSSCTSKCTSBMAPTSMN1; SMN2

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
CN-114805365-B Factor XIA new macrocycles carrying non-aromatic P2' groups 百时美施贵宝公司 2024-07-23 CN disclosed
CN-116987080-A Macrocyclic compounds with heterocyclic P2' groups as factor XIA inhibitors 百时美施贵宝公司 2023-11-03 CN disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
CN-110845498-B Macrocyclic compounds having heterocyclic P2' groups as factor XIA inhibitors 百时美施贵宝公司 2023-02-17 CN 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
CN-110845498-A Macrocyclic compounds having a heterocyclic P2' group as factor XIA inhibitors 百时美施贵宝公司 2020-02-28 CN disclosed
US-9802939-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-31 US disclosed
EP-3099688-A1 MACROCYCLIC FACTOR XIA INHIBITORS CONDENSED WITH HETEROCYCLES Bristol-Myers Squibb Company (US) 2016-12-07 EP disclosed
EP-3099686-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2016-12-07 EP disclosed
WO-2015116882-A1 MACROCYCLIC FACTOR XIA INHIBITORS CONDENSED WITH HETEROCYCLES 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 (6 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 CTSS 213/4885CTSK 85/4885CTSB 286/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 CTSS 213/4885CTSK 85/4885CTSB 286/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 CTSS 213/4885CTSK 85/4885CTSB 286/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 CTSS 213/4885CTSK 85/4885CTSB 286/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 CTSS 213/4885CTSK 85/4885CTSB 286/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 CTSS 213/4885CTSK 85/4885CTSB 286/4885

“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.