SCHEMBL2722007

SCHEMBL2722007

COC(=O)c1ccc([N+](=O)[O-])c(C(=O)OC(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.56
HPGD P15428 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SIRT6 Q8N6T7 1/20 0.47
LMNA P02545 2/20 0.46
AR P10275 1/20 0.46
PELP1 Q8IZL8 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
PKM P14618 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
ERN1 O75460 1/20 0.43
POLB P06746 1/20 0.43
USP10 Q14694 1/20 0.43

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
SCHEMBL557153 0.93 VCAM1 (0.46) VCAM1HPGDALDH1A1NPSR1SIRT6
SCHEMBL2721807 0.89 VCAM1 (0.59) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL4753199 0.88 VCAM1 (0.60) VCAM1HPGDALDH1A1NPSR1SIRT6
SCHEMBL557039 0.87 CASP6 (0.55) HPGDLMNAPOLB
SCHEMBL557040 0.87 CASP6 (0.55) HPGDLMNAPOLB
SCHEMBL557218 0.84 DTYMK (0.50) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL1026951 0.84 TDP1 (0.50) VCAM1HPGDALDH1A1NPSR1TDP1
SCHEMBL2428605 0.83 VCAM1 (0.56) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL1353346 0.82 VCAM1 (0.57) VCAM1HPGDALDH1A1NPSR1SIRT6
SCHEMBL19782588 0.82 TDP1 (0.48) HPGDALDH1A1SIRT6LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
EP-2635559-A2 NEUROTRYPSIN INHIBITORS Neurotune AG (CH) 2013-09-11 EP disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 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-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 VCAM1 4195/4885HPGD 2788/4885ALDH1A1 4185/4885

“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.