SCHEMBL4238752

SCHEMBL4238752

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CA9 Q16790 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
NR3C1 P04150 1/20 0.43
RORC P51449 1/20 0.42
LMNA P02545 2/20 0.42
S1PR4 O95977 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 8/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41

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
SCHEMBL2999739 0.79 MAPT (0.54) ALDH1A1CA9MEN1KMT2AKDM4E
SCHEMBL21932234 0.78 MAPT (0.45) ALDH1A1CA9MEN1KMT2AKDM4E
SCHEMBL5625920 0.78 MAPT (0.45) ALDH1A1CA9MEN1KMT2AKDM4E
SCHEMBL3146623 0.78 MAPT (0.49) ALDH1A1CA9MEN1KMT2AKDM4E
SCHEMBL3157245 0.77 ALDH1A1 (0.61) ALDH1A1CA9MEN1KMT2AKDM4E
SCHEMBL6327352 0.77 CA9 (0.44) ALDH1A1CA9MEN1KMT2AKDM4E
SCHEMBL4241968 0.77 SMN1; SMN2 (0.39) ALDH1A1MEN1KMT2ANR3C1LMNA
SCHEMBL3159673 0.76 MAPT (0.50) ALDH1A1CA9MEN1KMT2AKDM4E
SCHEMBL21932305 0.76 CA9 (0.45) ALDH1A1CA9MEN1KMT2AKDM4E
SCHEMBL5624320 0.76 MEN1 (0.50) ALDH1A1CA9MEN1KMT2AKDM4E

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-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 ALDH1A1 3358/4885CA9 4277/4885MEN1 4855/4885

“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.