SCHEMBL16307013

SCHEMBL16307013

CC(C)(C)OC(=O)NCc1cc([N+](=O)[O-])ccc1S(=O)(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADRA2A P08913 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
P2RY6 Q15077 1/20 0.39
POLB P06746 1/20 0.39
BRD4 O60885 1/20 0.39
MMP1 P03956 3/20 0.39
MMP2 P08253 3/20 0.39
MMP9 P14780 3/20 0.39
MMP8 P22894 3/20 0.39
MMP13 P45452 3/20 0.39
MEN1 O00255 1/20 0.38
CRHBP P24387 1/20 0.38

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
SCHEMBL16306988 0.82 KDM4A (0.39) KDM4A
SCHEMBL12330621 0.82 ALOX5 (0.48) ALOX5ITGA4ITGB7MAPTNPC1
SCHEMBL27767702 0.82 ALOX5 (0.44) ALOX5ITGA4ITGB7MAPTNPC1
SCHEMBL399470 0.81 ALOX5 (0.47) ALOX5ITGA4ITGB7MAPTNPC1
SCHEMBL13172664 0.81 MAPT (0.45) ALOX5ITGA4ITGB7MAPTNPC1
SCHEMBL31455922 0.81 MAPT (0.45) ALOX5ITGA4ITGB7MAPTNPC1
SCHEMBL5413213 0.81 MEN1 (0.52) ALOX5ITGA4ITGB7MAPTNPC1
SCHEMBL2858710 0.81 ALOX5 (0.47) ALOX5ITGA4ITGB7MAPTNPC1
SCHEMBL16306986 0.81 ALOX5 (0.43) ALOX5ITGA4ITGB7MAPTNPC1
SCHEMBL6681877 0.80 GNRHR (0.49) ALOX5MAPTSMN1; SMN2MMP1MMP2

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 4 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-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 US disclosed
WO-2014201073-A9 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-08 WO disclosed
WO-2014201073-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-18 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 (1 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-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 ALOX5 1151/4885ITGA4 206/4885ITGB7 115/4885

“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.