SCHEMBL8165488

SCHEMBL8165488

CN(Cc1cc([N+](=O)[O-])cc(F)c1O)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GALR3 O60755 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
CACNA1G O43497 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1C Q13936 1/20 0.36
THRB P10828 2/20 0.36
HTR2C P28335 2/20 0.36
SLC6A4 P31645 2/20 0.36
HTR2A P28223 1/20 0.36
RIPK1 Q13546 3/20 0.36
LMNA P02545 1/20 0.36
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL8164897 0.88 ALDH1A1 (0.44) HTTL3MBTL1ITGA4ITGB7THRB
SCHEMBL13361378 0.87 AURKA (0.35) HTTKMT2AL3MBTL1ITGA4ITGB7
SCHEMBL16307085 0.85 ITGA4 (0.35) HTTKMT2AMEN1L3MBTL1GALR3
SCHEMBL16744638 0.85 HTR2C (0.37) HTTKMT2AMEN1SMN1; SMN2CACNA1G
SCHEMBL16744675 0.84 HTR2C (0.34) HTTKMT2AL3MBTL1ITGA4ITGB7
SCHEMBL16744676 0.84 THRB (0.34) ITGA4ITGB7CACNA1GCACNA1BCACNA1C
SCHEMBL16744637 0.84 HTR2C (0.37) HTTKMT2AL3MBTL1ITGA4ITGB7
SCHEMBL16744666 0.81 CYP19A1 (0.42) KMT2AMEN1ITGA4ITGB7THRB
SCHEMBL16747605 0.80 HTR2C (0.37) HTTKMT2ASMN1; SMN2CACNA1GCACNA1B
SCHEMBL8163578 0.80 ITGA4 (0.41) L3MBTL1SMN1; SMN2ITGA4ITGB7LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 US disclosed
EP-3008052-A1 MACROCYCLIC FACTOR VIIA INHIBITORS Bristol-Myers Squibb Company (US) 2016-04-20 EP disclosed
US-9174974-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
US-9174974-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
WO-2014201073-A9 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-08 WO disclosed
WO-2014201073-A9 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-08 WO disclosed
US-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-28 US disclosed
US-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-28 US disclosed
WO-2014201073-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-18 WO disclosed
WO-2014201073-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-18 WO disclosed
WO-2008079836-A2 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 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 (2 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-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 HTT 4371/4885KMT2A 2571/4885MEN1 1271/4885
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 HTT 4402/4885KMT2A 2659/4885MEN1 1244/4885

“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.