SCHEMBL5165487

SCHEMBL5165487

COc1ccccc1S(=O)(=O)NCc1ccccc1N1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
GFER P55789 1/20 0.51
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
ERAP2 Q6P179 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL23043704 0.77 PTGS2 (0.56) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL29978591 0.77 PTGS2 (0.56) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL5163986 0.76 MEN1 (0.52) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL30733139 0.76 MEN1 (0.52) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL5165402 0.75 GAA (0.64) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL23057125 0.74 KMT2A (0.49) GAAGFERALDH1A1MEN1KMT2A
SCHEMBL5164806 0.74 MEN1 (0.53) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL5164811 0.73 GAA (0.55) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL23355005 0.72 KMT2A (0.50) GAAGFERALDH1A1MEN1KMT2A
SCHEMBL12793034 0.71 ALDH1A1 (0.67) GAAALDH1A1MEN1KMT2AKDM4E

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
EP-1765332-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-03-28 EP disclosed
US-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 US disclosed
WO-2006009876-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-01-26 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-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases PTPA, PTPN1, PTPRS GAA 2148/4885GFER 2605/4885ALDH1A1 3296/4885

“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.