SCHEMBL908478

SCHEMBL908478

Cc1ccc(S(=O)(=O)CCC(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.75
KMT2A Q03164 6/20 0.73
PAX8 Q06710 3/20 0.68
HSD11B1 P28845 4/20 0.57
ALDH1A1 P00352 3/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
THRB P10828 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 2/20 0.50
ACHE P22303 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL30008266 0.87 HSD11B1 (0.74) PKMKMT2APAX8HSD11B1ALDH1A1
SCHEMBL25128778 0.82 KMT2A (0.76) PKMKMT2APAX8HSD11B1ALDH1A1
SCHEMBL1951415 0.82 KMT2A (0.76) KMT2APAX8HSD11B1ALDH1A1LMNA
SCHEMBL28825174 0.81 KMT2A (1.00) KMT2APAX8HSD11B1ALDH1A1LMNA
SCHEMBL4617628 0.81 KMT2A (0.74) KMT2APAX8HSD11B1ALDH1A1LMNA
SCHEMBL28825135 0.81 KMT2A (1.00) KMT2APAX8HSD11B1ALDH1A1LMNA
SCHEMBL29275318 0.81 HSD11B1 (0.78) KMT2APAX8HSD11B1ALDH1A1LMNA
SCHEMBL12264849 0.79 KMT2A (0.70) PKMKMT2APAX8HSD11B1ALDH1A1
SCHEMBL21541110 0.79 KMT2A (0.70) PKMKMT2APAX8HSD11B1ALDH1A1
SCHEMBL7861808 0.77 HTT (0.57) PKMKMT2AHSD11B1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816051-B2 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2014-08-26 US disclosed
US-20110182855-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION POLYTHERICS LIMITED (GB) 2011-07-28 US disclosed
EP-2277550-A1 Conjugated biological molecules and their preparation Polytherics Limited (GB) 2011-01-26 EP disclosed
US-20060210526-A1 polyoxyethylene glycol-protein conjugate linked via linking group ABZENA (CAMBRIDGE) LIMITED (GB) 2006-09-21 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 (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-20110182855-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION F13B, ZYX, F13A1 PKM 2623/4885KMT2A 4253/4885PAX8 1683/4885
US-20060210526-A1 polyoxyethylene glycol-protein conjugate linked via linking group F13A1, F13B, SSB PKM 3131/4885KMT2A 4148/4885PAX8 2398/4885

“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.