SCHEMBL5167263

SCHEMBL5167263

COc1ccccc1S(=O)(=O)NCc1ccc(B(O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
FABP4 P15090 1/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
NSD2 O96028 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
PKM P14618 1/20 0.44
NAMPT P43490 1/20 0.44
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43

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
SCHEMBL17101694 0.85 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1FABP4CYP1A2CYP2C19
SCHEMBL16651567 0.85 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1L3MBTL1FABP4CYP1A2
SCHEMBL17101815 0.84 LMNA (0.43) SMN1; SMN2L3MBTL1FABP4NSD2LMNA
SCHEMBL17101687 0.84 MEP1B (0.56) SMN1; SMN2ALDH1A1FABP4CYP1A2CYP2C19
SCHEMBL17101706 0.84 POLB (0.54) SMN1; SMN2ALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL5166003 0.82 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1L3MBTL1FABP4CYP1A2
SCHEMBL17101701 0.82 NR3C2 (0.48) SMN1; SMN2ALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL17101772 0.80 LMNA (0.52) ALDH1A1L3MBTL1LMNACA12CA9
SCHEMBL17101682 0.80 LMNA (0.51) L3MBTL1NSD2LMNACA12CA9
SCHEMBL5892016 0.79 CYP19A1 (0.57) SMN1; SMN2ALDH1A1L3MBTL1FABP4CYP1A2

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
WO-2015140566-A1 PYRAZOLO-PYRIMIDINES AS INHIBITORS OF BTK REDX PHARMA PLC (GB) 2015-09-24 WO disclosed
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 3478/4885ALDH1A1 3296/4885L3MBTL1 1942/4885

“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.