SCHEMBL4108482

SCHEMBL4108482

O=C(Nc1ccc(S(=O)(=O)O)c2ccccc12)c1ccccc1.[NaH]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 10/20 0.68
CD40 P25942 1/20 0.60
CD40LG P29965 1/20 0.60
NPC1 O15118 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 1/20 0.54
PARP1 P09874 1/20 0.49
TIMP3 P35625 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
APEX1 P27695 1/20 0.46

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
SCHEMBL1338412 0.98 CCR8 (0.70) CCR8CD40CD40LGNPC1CYP1A2
SCHEMBL1339026 0.91 NPC1 (0.62) CCR8CD40CD40LGNPC1CYP1A2
SCHEMBL6242899 0.89 CCR8 (0.58) CCR8CD40CD40LGNPC1CYP1A2
SCHEMBL14215479 0.85 CCR8 (0.68) CCR8CD40CD40LGNPC1CYP1A2
SCHEMBL1338666 0.85 CCR8 (0.68) CCR8CD40CD40LGNPC1CYP1A2
SCHEMBL12919715 0.84 TIMP3 (0.56) CCR8CD40CD40LGNPC1CYP1A2
SCHEMBL11782093 0.84 HSD17B10 (0.56) CCR8CD40CD40LGNPC1CYP1A2
SCHEMBL4108474 0.84 CCR8 (0.67) CCR8CD40CD40LGNPC1CYP1A2
SCHEMBL6120265 0.82 CD40 (0.50) CCR8CD40CD40LGCYP1A2TIMP3
SCHEMBL1413171 0.82 AURKB (0.52) CCR8CD40CD40LGNPC1CYP1A2

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
US-20090306132-A1 USE OF DERIVATIVES OF NAPHTHALENESULPHONIC OR QUINOLINESULPHONIC ACID IN THE TREATMENT OF VASOPROLIFERATIVE OCULAR DISEASES ITALFARMACO, S.A. (ES) 2009-12-10 US claimed
US-20090076140-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES ITALFARMACO, S. A. (ES) 2009-03-19 US claimed
EP-1994929-A1 USE OF DERIVATIVES OF NAPHTHALENESULPHONIC OR QUINOLINESULPHONIC ACID IN THE TREATMENT OF VASOPROLIFERATIVE OCULAR DISEASES ITALFARMACO, S.A. (ES) 2008-11-26 EP claimed
US-20060160849-A1 Pharmaceutical compositions containing sulphonic acid derivatives ITALFARMACO, S.A. (ES) 2006-07-20 US claimed
EP-1602644-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES Italfarmaco, S.A. (ES) 2005-12-07 EP claimed
US-20090306132-A1 USE OF DERIVATIVES OF NAPHTHALENESULPHONIC OR QUINOLINESULPHONIC ACID IN THE TREATMENT OF VASOPROLIFERATIVE OCULAR DISEASES ITALFARMACO, S.A. (ES) 2009-12-10 US disclosed
US-20090076140-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES ITALFARMACO, S. A. (ES) 2009-03-19 US disclosed
EP-1994929-A1 USE OF DERIVATIVES OF NAPHTHALENESULPHONIC OR QUINOLINESULPHONIC ACID IN THE TREATMENT OF VASOPROLIFERATIVE OCULAR DISEASES ITALFARMACO, S.A. (ES) 2008-11-26 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20090306132-A1 USE OF DERIVATIVES OF NAPHTHALENESULPHONIC OR QUINOLINESULPHONIC ACID IN THE TREATMENT OF VASOPROLIFERATIVE OCULAR DISEASES NQO2, SQLE, SQOR CCR8 4773/4885CD40 2893/4885CD40LG 4058/4885
US-20090076140-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES SUCNR1, NR1H4, CYP2B6 CCR8 580/4885CD40 2518/4885CD40LG 3370/4885
US-20060160849-A1 Pharmaceutical compositions containing sulphonic acid derivatives SUCNR1, NR1H4, CYP2B6 CCR8 545/4885CD40 2564/4885CD40LG 3405/4885

“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.