SCHEMBL614294

SCHEMBL614294

COC(=O)Nc1ccc(-c2cc(CCC=CNC(=O)OC(C)(C)C)n[nH]c2=O)c(N)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 2/20 0.33
MAPKAPK2 P49137 5/20 0.32
GSK3B P49841 3/20 0.31
MAP4K4 O95819 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
PARP1 P09874 1/20 0.30
CYP17A1 P05093 1/20 0.30
ACSS2 Q9NR19 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
ROCK1 Q13464 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
SCHEMBL614085 0.87 GSK3B (0.36) TNIKGSK3B
SCHEMBL616050 0.81 SREBF2 (0.44) MAPKAPK2MAP4K4CYP17A1AAK1
SCHEMBL616861 0.79 ATR (0.36) CA12CA1CA9
SCHEMBL616979 0.75 SREBF2 (0.41) MAPKAPK2MAP4K4CYP17A1AAK1
SCHEMBL614293 0.75 F11 (0.36) TNIKAAK1
SCHEMBL30480743 0.75 F11 (0.36) TNIKAAK1
SCHEMBL14691373 0.71 SREBF2 (0.45) MAP4K4CYP17A1ACSS2AAK1
SCHEMBL614225 0.70 DGAT1 (0.33) ACSS2
SCHEMBL615698 0.70 EGFR (0.32) MAP4K4CYP17A1AAK1
SCHEMBL614941 0.70 F11 (0.36) MAPKAPK2CA12CA1CA9ACSS2

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 11 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
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 TNIK 291/4885MAPKAPK2 304/4885GSK3B 216/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 TNIK 291/4885MAPKAPK2 304/4885GSK3B 216/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 TNIK 291/4885MAPKAPK2 304/4885GSK3B 216/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 TNIK 291/4885MAPKAPK2 304/4885GSK3B 216/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 TNIK 291/4885MAPKAPK2 304/4885GSK3B 216/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 TNIK 291/4885MAPKAPK2 304/4885GSK3B 216/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 TNIK 291/4885MAPKAPK2 304/4885GSK3B 216/4885

“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.