SCHEMBL5163091

SCHEMBL5163091

COc1ccccc1S(=O)(=O)NCc1ccc(-c2ccc3c(c2)C(=O)OC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.47
BRD4 O60885 3/20 0.46
BRD2 P25440 1/20 0.45
BRD3 Q15059 1/20 0.45
NR3C1 P04150 2/20 0.44
PGR P06401 2/20 0.44
MAOA P21397 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CNR1 P21554 1/20 0.42
ACLY P53396 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PKM P14618 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
SCHEMBL5163905 0.74 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1BRD4BRD2BRD3
SCHEMBL5166693 0.74 NR3C2 (0.57) SMN1; SMN2ALDH1A1BRD4BRD2BRD3
SCHEMBL5166956 0.73 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1BRD4BRD2BRD3
SCHEMBL5166003 0.72 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL5891884 0.69 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1NR3C1PGRL3MBTL1
SCHEMBL5167263 0.69 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1BRD4BRD2BRD3
SCHEMBL5892016 0.69 CYP19A1 (0.57) SMN1; SMN2ALDH1A1L3MBTL1CNR1CYP1A2
SCHEMBL5164007 0.69 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1BRD4BRD2BRD3
SCHEMBL17580040 0.69 MAOA (0.57) SMN1; SMN2ALDH1A1MAOAL3MBTL1POLB
SCHEMBL25856992 0.68 RAB9A (0.52) SMN1; SMN2ALDH1A1CYP3A4HPGDRXFP1

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 3478/4885ALDH1A1 3296/4885BRD4 1090/4885

“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.