SCHEMBL4102145

SCHEMBL4102145

CC(=O)Nc1cccc2ccc(S(=O)(=O)O)cc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.79
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
POLB P06746 2/20 0.48
NQO2 P16083 3/20 0.47
MTNR1A P48039 3/20 0.47
MTNR1B P49286 2/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPV1 Q8NER1 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 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
SCHEMBL4103361 0.99 CASP6 (0.77) CASP6KDM4EALDH1A1MAPTHPGD
SCHEMBL7225514 0.88 CASP6 (1.00) CASP6KDM4EALDH1A1MAPTHPGD
SCHEMBL8784071 0.87 CASP6 (0.60) CASP6KDM4EALDH1A1MAPTHPGD
SCHEMBL4103360 0.87 CASP6 (0.60) CASP6KDM4EALDH1A1MAPTHPGD
SCHEMBL4107132 0.87 CASP6 (0.97) CASP6KDM4EALDH1A1MAPTHPGD
SCHEMBL11436890 0.86 CASP6 (0.60) CASP6KDM4EALDH1A1MAPTHPGD
SCHEMBL26885979 0.85 CASP6 (0.58) CASP6KDM4EALDH1A1POLBNQO2
SCHEMBL17000439 0.84 CASP6 (0.56) CASP6KDM4EALDH1A1MAPTNQO2
SCHEMBL6242889 0.84 CASP6 (0.57) CASP6ALDH1A1POLBCA12CA1
SCHEMBL1339220 0.82 NPC1 (0.64) CASP6LMNAKMT2ATRPV1CYP1A2

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
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

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 2320/4885KDM4E 4435/4885ALDH1A1 2229/4885
US-20060160849-A1 Pharmaceutical compositions containing sulphonic acid derivatives SUCNR1, NR1H4, CYP2B6 CASP6 2305/4885KDM4E 4485/4885ALDH1A1 2206/4885

“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.