SCHEMBL2865337

SCHEMBL2865337

CC(=O)C(=[N+]=[N-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.46
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
CA12 O43570 5/20 0.45
CA9 Q16790 5/20 0.45
CA14 Q9ULX7 5/20 0.45
CA3 P07451 3/20 0.45
CA4 P22748 3/20 0.45
CA6 P23280 3/20 0.45
CA5A P35218 3/20 0.45
CA7 P43166 3/20 0.45
CA13 Q8N1Q1 3/20 0.45
CA5B Q9Y2D0 3/20 0.45
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL2863852 0.80 ALDH1A1 (0.43) KMT2APOLBCA1CA2CA12
SCHEMBL6931644 0.78 CA2 (0.50) KMT2APOLBCA1CA2CA12
SCHEMBL30724830 0.78 MAPK1 (0.57) KMT2APOLBMAPK1CA1CA2
SCHEMBL2860305 0.76 PKM (0.47) KMT2ACA1CA2MMP1MMP2
SCHEMBL31757009 0.76 ALDH1A1 (0.44) KMT2ACA1CA2MEN1ALDH1A1
SCHEMBL7724566 0.75 MAPT (0.57) KMT2APOLBCA2MEN1ALDH1A1
SCHEMBL7691211 0.75 MMP2 (0.45) KMT2APOLBCA2CA12MMP2
SCHEMBL7696538 0.74 MMP2 (0.41) KMT2APOLBCA1CA2CA9
SCHEMBL29447197 0.72 CA2 (0.55) KMT2APOLBCA1CA2CA12
SCHEMBL11973333 0.72 FLT1 (0.50) KMT2ACA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100174104-A1 COBALT-CATALYZED ASYMMETRIC CYCLOPROPANATION WITH DIAZOSULFONES UNIVERSITY OF SOUTH FLORIDA 2010-07-08 US disclosed
US-20100174104-A1 COBALT-CATALYZED ASYMMETRIC CYCLOPROPANATION WITH DIAZOSULFONES UNIVERSITY OF SOUTH FLORIDA 2010-07-08 US disclosed
WO-2009114849-A1 COBALT-CATALYZED ASYMMETRIC CYCLOPROPANATION WITH DIAZOSULFONES UNIVERSITY OF SOUTH FLORIDA (US) 2009-09-17 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-20100174104-A1 COBALT-CATALYZED ASYMMETRIC CYCLOPROPANATION WITH DIAZOSULFONES CYCS, TST, CBS KMT2A 1568/4885POLB 3606/4885MAPK1 4253/4885

“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.