SCHEMBL4119552

SCHEMBL4119552

O=C(Nc1cccc2cc(S(=O)(=O)O)ccc12)c1ccccc1.[NaH]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.67
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
APEX1 P27695 1/20 0.60
FGF1 P05230 1/20 0.59
RHOA P61586 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
SIRT3 Q9NTG7 1/20 0.48
ALOX5 P09917 1/20 0.48
KMT2A Q03164 2/20 0.47
ENPP2 Q13822 1/20 0.47
KDR P35968 1/20 0.46
CCR8 P51685 1/20 0.46
TIMP3 P35625 1/20 0.45

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
SCHEMBL7233377 0.92 CASP6 (0.60) CASP6NPC1RAB9ACYP1A2CYP3A4
SCHEMBL6240628 0.91 CASP6 (0.72) CASP6NPC1RAB9ACYP1A2CYP3A4
SCHEMBL4110673 0.90 NPC1 (0.62) CASP6NPC1RAB9ACYP1A2CYP3A4
SCHEMBL6243020 0.88 CASP6 (0.66) CASP6NPC1RAB9ACYP1A2CYP3A4
SCHEMBL1339220 0.88 NPC1 (0.64) CASP6NPC1RAB9ACYP1A2CYP3A4
SCHEMBL4119546 0.87 FGF1 (0.76) CASP6NPC1RAB9ACYP1A2CYP3A4
SCHEMBL17115743 0.86 APEX1 (0.70) CASP6NPC1RAB9ACYP1A2CYP3A4
SCHEMBL4119604 0.86 CASP6 (0.63) CASP6NPC1RAB9ACYP1A2CYP3A4
SCHEMBL7223298 0.85 CASP6 (0.64) CASP6NPC1RAB9ACYP1A2CYP3A4
SCHEMBL7224393 0.85 CASP6 (0.58) CASP6NPC1RAB9ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076140-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES ITALFARMACO, S. A. (ES) 2009-03-19 US 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 CASP6 553/4885NPC1 2537/4885RAB9A 1009/4885
US-20090076140-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES SUCNR1, NR1H4, CYP2B6 CASP6 2320/4885NPC1 593/4885RAB9A 865/4885
US-20060160849-A1 Pharmaceutical compositions containing sulphonic acid derivatives SUCNR1, NR1H4, CYP2B6 CASP6 2305/4885NPC1 616/4885RAB9A 878/4885

“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.