SCHEMBL4115392

SCHEMBL4115392

Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1.[NaH]

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 5/20 0.97
NSD2 O96028 4/20 0.97
DUSP3 P51452 2/20 0.97
PTPN5 P54829 2/20 0.97
PTPN11 Q06124 2/20 0.97
NT5E P21589 4/20 0.73
CTDSP1 Q9GZU7 1/20 0.63
PRMT1 Q99873 2/20 0.59
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 3/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 1/20 0.50
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
PLAU P00749 1/20 0.47
CASP7 P55210 1/20 0.44
ENPP2 Q13822 1/20 0.43
SIRT1 Q96EB6 1/20 0.42
GAA P10253 1/20 0.38
PLCG1 P19174 1/20 0.38

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
SCHEMBL27170421 1.00 CASP6 (0.97) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL154124 0.98 CASP6 (1.00) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL29399528 0.98 CASP6 (1.00) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL11413465 0.98 CASP6 (1.00) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL28912220 0.97 CASP6 (0.97) CASP6NSD2DUSP3PTPN5PTPN11
Water SCHEMBL4869253 0.97 CASP6 (0.97) CASP6NSD2DUSP3PTPN5PTPN11
Urea SCHEMBL11492396 0.94 CASP6 (0.91) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL16552797 0.92 CASP6 (0.88) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL9135678 0.88 CASP6 (0.81) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL10597126 0.88 CASP6 (0.81) CASP6NSD2DUSP3PTPN5PTPN11

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55092696-A None JP disclosed
US-20090076140-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES ITALFARMACO, S. A. (ES) 2009-03-19 US disclosed
US-20070031319-A1 Carbon material DEGUSSA AG (DE) 2007-02-08 US disclosed
US-20060160849-A1 Pharmaceutical compositions containing sulphonic acid derivatives ITALFARMACO, S.A. (ES) 2006-07-20 US disclosed
EP-1602644-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES Italfarmaco, S.A. (ES) 2005-12-07 EP disclosed
CN-1280123-A Method for preparing J acid (7-amino-4-hydroxy-2-naphthalonesulfonic acid) TIANJIN CITY ENVIRONMENT PROT (CN) 2001-01-17 CN disclosed
US-4230852-A CELLULOSE, COTTON, ORANGE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-10-28 US disclosed
JP-S5592696-A REAGENT FOR DETECTION OF PEROXIDASE MITSUI TADAO 1980-07-14 JP disclosed
US-4148790-A FOR CELLULOSIC FIBERS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1979-04-10 US disclosed
US-4038267-A TRIAZINE REACTIVE DYES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-07-26 US 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 (2 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-20090076140-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES SUCNR1, NR1H4, CYP2B6 CASP6 2320/4885NSD2 1672/4885DUSP3 4316/4885
US-20060160849-A1 Pharmaceutical compositions containing sulphonic acid derivatives SUCNR1, NR1H4, CYP2B6 CASP6 2305/4885NSD2 1673/4885DUSP3 4294/4885

“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.