SCHEMBL5166693

SCHEMBL5166693

COc1ccccc1S(=O)(=O)NCc1ccc(-c2cccc(C#N)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.57
ACLY P53396 5/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 4/20 0.49
CNR1 P21554 2/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
NSD2 O96028 1/20 0.46
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
CYP2D6 P10635 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BRD4 O60885 2/20 0.45
BRD2 P25440 1/20 0.45
BRD3 Q15059 1/20 0.45

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
SCHEMBL5892016 0.86 CYP19A1 (0.57) NR3C2SMN1; SMN2ALDH1A1CNR1CYP1A2
SCHEMBL5166956 0.80 SMN1; SMN2 (0.53) ACLYSMN1; SMN2ALDH1A1CNR1CYP1A2
SCHEMBL5891979 0.79 ACLY (0.47) NR3C2ACLYALDH1A1CYP1A2CYP2C19
SCHEMBL5163905 0.77 SMN1; SMN2 (0.55) ACLYSMN1; SMN2ALDH1A1CNR1CYP1A2
SCHEMBL5166003 0.75 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1CYP1A2CYP2C19NSD2
SCHEMBL5163091 0.74 SMN1; SMN2 (0.48) ACLYSMN1; SMN2ALDH1A1CNR1CYP1A2
SCHEMBL5167263 0.72 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1CYP1A2CYP2C19NSD2
SCHEMBL5891884 0.72 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1CNR1CYP1A2CYP2C19
SCHEMBL15606127 0.72 CYP19A1 (0.65) NR3C2ACLYSMN1; SMN2CNR1NSD2
SCHEMBL2007110 0.72 NR3C1 (0.49) NR3C2SMN1; SMN2ALDH1A1BRD4L3MBTL1

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 NR3C2 2494/4885ACLY 3966/4885SMN1; SMN2 3478/4885

“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.