SCHEMBL2863852

SCHEMBL2863852

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
GAA P10253 2/20 0.42
PKM P14618 2/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
NOD2 Q9HC29 1/20 0.40
MEN1 O00255 1/20 0.40
CA12 O43570 1/20 0.39

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
SCHEMBL1089447 0.86 ALDH1A1 (0.43) ALDH1A1GAACA1CA2MMP1
SCHEMBL9010795 0.83 CES2 (0.48) ALDH1A1GAALMNAPOLBKMT2A
SCHEMBL384657 0.81 ALDH1A1 (0.44) ALDH1A1GAAPKMCA1CA2
SCHEMBL31757009 0.81 ALDH1A1 (0.44) ALDH1A1GAACA1CA2LMNA
SCHEMBL563251 0.81 ALDH1A1 (0.40) ALDH1A1GAACA1CA2MMP1
SCHEMBL2860305 0.81 PKM (0.47) GAAPKMCA1CA2MMP1
SCHEMBL7724566 0.80 MAPT (0.57) ALDH1A1GAAPKMCA2CYP3A4
SCHEMBL2865337 0.80 KMT2A (0.47) ALDH1A1PKMCA1CA2MMP1
SCHEMBL384364 0.79 CES2 (0.51) ALDH1A1CYP3A4LMNAKMT2AHTT
SCHEMBL7696538 0.79 MMP2 (0.41) ALDH1A1GAAPKMCA1CA2

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 ALDH1A1 818/4885GAA 4661/4885PKM 3682/4885

“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.