SCHEMBL3300943

SCHEMBL3300943

C=CCOC(=O)C(CC(=O)Oc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 2/20 0.43
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
CACNA1B Q00975 5/20 0.41
KMT2A Q03164 1/20 0.41
MGLL Q99685 2/20 0.39
HTR2A P28223 1/20 0.39
GSTP1 P09211 1/20 0.37
GSTM2 P28161 1/20 0.37
ABCB1 P08183 1/20 0.37

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
SCHEMBL16124224 0.86 PPARG (0.47) PPARGPPARASMN1; SMN2MAPTALDH1A1
SCHEMBL28538646 0.86 PPARG (0.47) PPARGPPARASMN1; SMN2MAPTALDH1A1
SCHEMBL27770773 0.84 PPARA (0.58) PPARGPPARASMN1; SMN2MAPTALDH1A1
SCHEMBL29401562 0.84 MAPT (0.52) PPARGPPARASMN1; SMN2MAPTALDH1A1
SCHEMBL3301536 0.83 PPARG (0.42) PPARGPPARASMN1; SMN2MAPTALDH1A1
SCHEMBL19969280 0.80 PPARG (0.48) PPARGPPARASMN1; SMN2MAPTALDH1A1
SCHEMBL7417267 0.79 PPARG (0.52) PPARGPPARASMN1; SMN2MAPTALDH1A1
SCHEMBL13407218 0.79 MAPT (0.42) PPARGPPARASMN1; SMN2MAPTALDH1A1
SCHEMBL31490548 0.79 BCL9 (0.52) PPARGPPARASMN1; SMN2MAPTALDH1A1
SCHEMBL7408059 0.78 SMN1; SMN2 (0.62) SMN1; SMN2MAPTCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105547-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. (FR) 2015-04-16 US disclosed
US-20150105547-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. (FR) 2015-04-16 US disclosed
US-8933062-B2 Nitric oxide releasing steroids NICOX S.A. (FR) 2015-01-13 US disclosed
US-8933062-B2 Nitric oxide releasing steroids NICOX S.A. (FR) 2015-01-13 US disclosed
US-8933062-B2 Nitric oxide releasing steroids NICOX S.A. (FR) 2015-01-13 US disclosed
US-20100093685-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. 2010-04-15 US disclosed
US-20100093685-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. 2010-04-15 US disclosed
US-20100093685-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. 2010-04-15 US disclosed
WO-2008095806-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. (FR) 2008-08-14 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-20150105547-A1 NITRIC OXIDE RELEASING STEROIDS NR3C1, CYP11B1, NOS1 PPARG 1399/4885PPARA 2518/4885SMN1; SMN2 3698/4885
US-20100093685-A1 NITRIC OXIDE RELEASING STEROIDS NR3C1, CYP11B1, NOS1 PPARG 1324/4885PPARA 2291/4885SMN1; SMN2 4107/4885

“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.