SCHEMBL4101244

SCHEMBL4101244

NCCc1ccc(S(=O)(=O)O)cc1.[NaH]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.64
CA1 P00915 3/20 0.64
CA12 O43570 2/20 0.64
CA4 P22748 2/20 0.64
CA6 P23280 2/20 0.64
CA5A P35218 2/20 0.64
CA7 P43166 2/20 0.64
CA9 Q16790 2/20 0.64
CA14 Q9ULX7 2/20 0.64
CA5B Q9Y2D0 2/20 0.64
F2 P00734 2/20 0.62
TMPRSS4 Q9NRS4 2/20 0.62
TSHR P16473 2/20 0.62
CYP1A2 P05177 2/20 0.62
TP53 P04637 1/20 0.62
CYP2D6 P10635 1/20 0.62
HTR6 P50406 3/20 0.58
ALDH1A1 P00352 2/20 0.56
NT5E P21589 1/20 0.56
TAAR1 Q96RJ0 7/20 0.50

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
SCHEMBL1806678 0.98 CA2 (0.67) CA2CA1CA12CA4CA6
Ammonia Solution, Strong SCHEMBL27896872 0.96 CA2 (0.64) CA2CA1CA12CA4CA6
Hydrochloric Acid SCHEMBL31047154 0.96 F2 (0.66) CA2CA1CA12CA4CA6
SCHEMBL11742571 0.96 CA2 (0.64) CA2CA1CA12CA4CA6
SCHEMBL9386381 0.88 CA2 (0.50) CA2CA1CA12CA4CA6
SCHEMBL9390746 0.86 CA2 (0.51) CA2CA1CA12CA4CA6
SCHEMBL1804527 0.86 CA2 (0.52) CA2CA1CA12CA4CA6
SCHEMBL9388371 0.85 CA2 (0.53) CA2CA1CA12CA4CA6
SCHEMBL9391245 0.85 CA2 (0.53) CA2CA1CA12CA4CA6
SCHEMBL9388355 0.85 CA2 (0.53) CA2CA1CA12CA4CA6

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 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 CA2 348/4885CA1 902/4885CA12 250/4885
US-20060160849-A1 Pharmaceutical compositions containing sulphonic acid derivatives SUCNR1, NR1H4, CYP2B6 CA2 329/4885CA1 880/4885CA12 269/4885

“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.