SCHEMBL1804435

SCHEMBL1804435

COc1ccc(S(N)(=O)=O)c(CCO)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CYP2D6 P10635 1/20 0.46
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
GAA P10253 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
PTGS2 P35354 1/20 0.42
PDIA6 Q15084 1/20 0.42
ADRA1A P35348 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
PIK3CG P48736 1/20 0.41

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
SCHEMBL1808211 0.87 PTGS2 (0.52) CA1CA2CA12CA9GAA
SCHEMBL5770945 0.86 MAPK1 (0.50) CA1CA2CA12CA9GAA
SCHEMBL1808453 0.86 CYP2D6 (0.47) CYP2D6GAAPTGS2ADRA1ATAAR1
SCHEMBL1804433 0.86 CA2 (0.44) CA1CA2CA12CA9GAA
SCHEMBL28363919 0.84 CA2 (0.43) CA1CA2CA12CA9GAA
SCHEMBL12499026 0.84 CA2 (0.43) CA1CA2CA12CA9GAA
SCHEMBL3643588 0.83 CA2 (0.48) CA1CA2CA12CA9GAA
SCHEMBL1808208 0.82 CA2 (0.47) CA1CA2CA12CA9GAA
SCHEMBL29163149 0.82 MTNR1A (0.44) CA1CA2CA12CA9GAA
SCHEMBL29163148 0.81 HTR2A (0.43) CA1CA2CA12CA9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308122-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-01-24 EP disclosed
WO-2022194779-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-09-22 WO 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 CA1 798/4885CA2 1279/4885CYP2D6 2352/4885

“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.