SCHEMBL16744705

SCHEMBL16744705

CCCc1cc([N+](=O)[O-])cc(F)c1O[C@@H]1COC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 3/20 0.41
PTPN1 P18031 3/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
BCHE P06276 1/20 0.39
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PTPN6 P29350 2/20 0.34
PTPN11 Q06124 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX5 P09917 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL16744706 0.83 MEN1 (0.41) POLBSMN1; SMN2ALDH1A1MAPTALOX5
SCHEMBL16744704 0.83 MEN1 (0.41) POLBSMN1; SMN2ALDH1A1MAPTALOX5
SCHEMBL16744707 0.82 MEN1 (0.34) POLBALDH1A1MAPT
SCHEMBL16747648 0.80 BCHE (0.41) PTPN2PTPN1BCHESMN1; SMN2ALDH1A1
SCHEMBL16744731 0.73 PDE4D (0.35) POLB
SCHEMBL21827726 0.73 PTPN2 (0.58) PTPN2PTPN1CHRM2CHRM4CHRM1
SCHEMBL21860239 0.73 PTPN2 (0.58) PTPN2PTPN1CHRM2CHRM4CHRM1
SCHEMBL21859809 0.72 PTPN2 (0.57) PTPN2PTPN1CHRM2CHRM4CHRM1
SCHEMBL21827209 0.72 PTPN2 (0.57) PTPN2PTPN1CHRM2CHRM4CHRM1
SCHEMBL21827210 0.72 PTPN2 (0.57) PTPN2PTPN1CHRM2CHRM4CHRM1

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 PTPN2 3167/4885PTPN1 3378/4885CHRM2 4210/4885

“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.