SCHEMBL1808207

SCHEMBL1808207

Cc1cccc(CCO)c1S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.41
CA1 P00915 7/20 0.41
CA9 Q16790 7/20 0.41
CA12 O43570 6/20 0.41
CA4 P22748 2/20 0.41
CA7 P43166 2/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL1807107 0.86 CA2 (0.43) CA2CA1CA9CA12CA4
SCHEMBL28115130 0.84 CA2 (0.42) CA2CA1CA9CA12CA4
SCHEMBL1808205 0.84 CA2 (0.39) CA2CA1CA9CA12CA4
SCHEMBL1802303 0.84 CA12 (0.33) CA2CA1CA9CA12TAAR1
SCHEMBL1807103 0.82 CA2 (0.42) CA2CA1CA9CA12CA4
SCHEMBL461617 0.82 CA2 (0.42) CA2CA1CA9CA12CA4
SCHEMBL3278456 0.81 CA2 (0.45) CA2CA1CA9CA12CA4
SCHEMBL1807647 0.79 CA2 (0.47) CA2CA1CA9CA12CA5A
SCHEMBL20541355 0.79 BID (0.47) CA2
SCHEMBL20541510 0.79 BID (0.47) CA2

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
CN-102056919-B Substituted sulfonamide derivatives GRUENENTHAL GMBH 2014-03-12 CN disclosed
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 US 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 (1 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 CA2 1279/4885CA1 798/4885CA9 1071/4885

“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.