SCHEMBL4101357

SCHEMBL4101357

NCc1ccc(S(=O)(=O)O)cc1.[NaH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.61
CA2 P00918 5/20 0.61
CA9 Q16790 5/20 0.61
CA12 O43570 4/20 0.61
CA4 P22748 4/20 0.61
CA6 P23280 3/20 0.61
CA5A P35218 3/20 0.61
CA7 P43166 3/20 0.61
CA14 Q9ULX7 3/20 0.61
CA5B Q9Y2D0 3/20 0.61
MAPT P10636 1/20 0.59
PSIP1 O75475 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
TSHR P16473 3/20 0.54
ALDH1A1 P00352 2/20 0.54
NT5E P21589 1/20 0.54
LMNA P02545 1/20 0.50
ABAT P80404 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL1754798 0.98 CA1 (0.64) CA1CA2CA9CA12CA4
Hydrochloric Acid SCHEMBL27280069 0.95 CA1 (0.65) CA1CA2CA9CA12CA4
Water SCHEMBL4060844 0.95 CA1 (0.61) CA1CA2CA9CA12CA4
SCHEMBL28486121 0.88 PSIP1 (0.55) CA1CA2CA9CA12CA4
Taurine SCHEMBL9729788 0.86 LMNA (0.52) CA1CA2CA9CA12CA4
Benzylamine SCHEMBL27648243 0.85 CA1 (0.54) CA1CA2CA9CA12CA4
SCHEMBL17923474 0.85 TSHR (0.64) CA1CA2CA9CA12CA4
Benzylamine SCHEMBL10860423 0.83 TSHR (0.67) CA1CA2CA9CA12CA4
SCHEMBL4101244 0.83 CA2 (0.64) CA1CA2CA9CA12CA4
Mafenide SCHEMBL1072130 0.80 CA2 (0.87) CA1CA2CA9CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101935294-B Method for recycling two main by-products in C acid production ZHEJIANG QINYAN CHEMICALS CO LTD 2013-11-06 CN disclosed
CN-101935294-A Method for recycling two main by-products in C acid production ZHEJIANG QINYAN CHEMICALS CO LTD 2011-01-05 CN disclosed
US-20090076140-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES ITALFARMACO, S. A. (ES) 2009-03-19 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

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 CA1 902/4885CA2 348/4885CA9 215/4885
US-20060160849-A1 Pharmaceutical compositions containing sulphonic acid derivatives SUCNR1, NR1H4, CYP2B6 CA1 880/4885CA2 329/4885CA9 205/4885

“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.