SCHEMBL16747635

SCHEMBL16747635

CN(Cc1cc([N+](=O)[O-])cc(F)c1OC[C@@H](O)C1CC1)C(=O)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
RORC P51449 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PDE1C Q14123 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
CCR5 P51681 7/20 0.34
TLR4 O00206 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL16297339 0.88 CYP19A1 (0.39) CYP19A1ITGA4ITGB7RORCPTGDR2
SCHEMBL16747636 0.85 RORC (0.34) CYP19A1ITGA4ITGB7RORCPTGDR2
SCHEMBL16747646 0.84 HTR2C (0.36) ITGA4ITGB7ALDH1A1KMT2A
SCHEMBL16747615 0.84 HTR2C (0.36) ITGA4ITGB7ALDH1A1KMT2A
SCHEMBL16293606 0.81 ITGA4 (0.44) CYP19A1ITGA4ITGB7PTGDR2PDE1C
SCHEMBL16296538 0.81 ITGA4 (0.39) CYP19A1ITGA4ITGB7RORCPTGDR2
SCHEMBL16737740 0.78 CYP19A1 (0.48) CYP19A1ITGA4ITGB7PTGDR2PDE1C
SCHEMBL16737859 0.78 PTGDR2 (0.35) CYP19A1ITGA4ITGB7RORCPTGDR2
SCHEMBL16737861 0.78 PTGDR2 (0.35) CYP19A1ITGA4ITGB7RORCPTGDR2
SCHEMBL16744666 0.77 CYP19A1 (0.42) CYP19A1ITGA4ITGB7MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174974-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
US-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-28 US 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-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 CYP19A1 444/4885ITGA4 222/4885ITGB7 109/4885

“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.