SCHEMBL5166003

SCHEMBL5166003

COc1ccccc1S(=O)(=O)NCc1ccc(Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.60
CA12 O43570 1/20 0.59
CA9 Q16790 1/20 0.59
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
PKM P14618 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GLA P06280 1/20 0.52
FABP4 P15090 1/20 0.51
NSD2 O96028 2/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL31078371 0.84 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1CYP1A2CYP2C19PKM
SCHEMBL119909 0.83 LMNA (0.77) SMN1; SMN2CA12CA9ALDH1A1LMNA
SCHEMBL31113449 0.83 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1LMNACYP1A2CYP2C19
SCHEMBL5167263 0.82 SMN1; SMN2 (0.56) SMN1; SMN2CA12CA9ALDH1A1LMNA
SCHEMBL5892016 0.82 CYP19A1 (0.57) SMN1; SMN2ALDH1A1LMNACYP1A2CYP2C19
SCHEMBL5960118 0.82 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1L3MBTL1GLAMAPT
SCHEMBL9460384 0.80 CA12 (0.67) CA12CA9LMNACYP1A2CYP2C19
SCHEMBL5163986 0.80 MEN1 (0.52) SMN1; SMN2ALDH1A1LMNACYP1A2CYP2C19
SCHEMBL30733139 0.80 MEN1 (0.52) SMN1; SMN2ALDH1A1LMNACYP1A2CYP2C19
SCHEMBL5164007 0.80 SMN1; SMN2 (0.51) SMN1; SMN2CA12CA9ALDH1A1LMNA

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 SMN1; SMN2 3478/4885CA12 4195/4885CA9 3599/4885

“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.