SCHEMBL614085

SCHEMBL614085

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 2/20 0.31
GNRHR P30968 1/20 0.31
HPGD P15428 1/20 0.31
CHEK1 O14757 1/20 0.31
RORC P51449 2/20 0.31
PRMT1 Q99873 1/20 0.31
AR P10275 2/20 0.30
PGR P06401 1/20 0.30
CYP3A4 P08684 1/20 0.30
TNIK Q9UKE5 1/20 0.30
MEN1 O00255 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
SCHEMBL614294 0.87 TNIK (0.33) GSK3BTNIK
SCHEMBL14691275 0.79 MAPT (0.33) ALDH1A1NPC1LMNAMAPTMAPK1
SCHEMBL2303811 0.79 ALDH1A1 (0.36) GSK3BALDH1A1NPC1LMNAMAPT
SCHEMBL614084 0.76 GSK3B (0.35) GSK3BALDH1A1LMNAMAPTMAPK1
SCHEMBL15460364 0.70 GSK3B (0.38) GSK3BALDH1A1MAPTKMT2AHPGD
SCHEMBL15456090 0.70 ALDH1A1 (0.33) ALDH1A1NPC1LMNAMAPTMAPK1
SCHEMBL15456088 0.70 ALDH1A1 (0.33) ALDH1A1NPC1LMNAMAPTMAPK1
SCHEMBL616050 0.70 SREBF2 (0.44)
SCHEMBL14691373 0.69 SREBF2 (0.45) MAPTATMKMT2AMEN1
SCHEMBL615698 0.67 EGFR (0.32) MAPTTDP1

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 12 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-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 GSK3B 216/4885ALDH1A1 4598/4885NPC1 2027/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 GSK3B 216/4885ALDH1A1 4598/4885NPC1 2027/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 GSK3B 216/4885ALDH1A1 4598/4885NPC1 2027/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 GSK3B 216/4885ALDH1A1 4598/4885NPC1 2027/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 GSK3B 216/4885ALDH1A1 4598/4885NPC1 2027/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 GSK3B 216/4885ALDH1A1 4598/4885NPC1 2027/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 GSK3B 216/4885ALDH1A1 4598/4885NPC1 2027/4885

“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.