SCHEMBL16737859

SCHEMBL16737859

CN(Cc1cc([N+](=O)[O-])cc(F)c1O[C@@H]1COC[C@@H]1O)C(=O)OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.35
CYP19A1 P11511 2/20 0.34
PDE1C Q14123 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
RORC P51449 3/20 0.34
AR P10275 2/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATM Q13315 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MAPK1 P28482 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
SCHEMBL16737861 1.00 PTGDR2 (0.35) PTGDR2CYP19A1PDE1CTDP1ITGA4
SCHEMBL16738029 0.88 PTGDR2 (0.34) PTGDR2CYP19A1PDE1CTDP1ITGA4
SCHEMBL16747648 0.88 BCHE (0.41) PTGDR2TDP1ARALDH1A1ATM
SCHEMBL16738027 0.88 PTGDR2 (0.34) PTGDR2CYP19A1PDE1CTDP1ITGA4
SCHEMBL16293606 0.80 ITGA4 (0.44) PTGDR2CYP19A1PDE1CITGA4ITGB7
SCHEMBL16297339 0.78 CYP19A1 (0.39) PTGDR2CYP19A1PDE1CITGA4ITGB7
SCHEMBL16296538 0.78 ITGA4 (0.39) PTGDR2CYP19A1PDE1CITGA4ITGB7
SCHEMBL16747635 0.78 CYP19A1 (0.36) PTGDR2CYP19A1PDE1CITGA4ITGB7
SCHEMBL16737740 0.77 CYP19A1 (0.48) PTGDR2CYP19A1PDE1CITGA4ITGB7
SCHEMBL16744704 0.76 MEN1 (0.41) ALDH1A1

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-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
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

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 PTGDR2 2234/4885CYP19A1 444/4885PDE1C 3654/4885

“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.