SCHEMBL3380580

SCHEMBL3380580

CC1CC(=O)c2cc(S(=O)(=O)O)sc2S1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.40
KLK7 P49862 1/20 0.40
CA2 P00918 1/20 0.37

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
SCHEMBL15545264 0.85 KDM4E (0.41) KDM4EALDH1A1HPGDKLK7CA2
SCHEMBL2351369 0.85 CA2 (0.54) KDM4EALDH1A1HPGDKLK7CA2
SCHEMBL14015776 0.72 KDM4E (0.43) KDM4EALDH1A1HPGDKLK7
SCHEMBL9429738 0.64 CA2 (0.43) CA2
SCHEMBL9429518 0.64 CA2 (0.43) CA2
SCHEMBL25796608 0.61 CA2 (0.37) CA2
SCHEMBL10077371 0.60 KDM4E (0.54) KDM4EALDH1A1HPGDKLK7
SCHEMBL22714603 0.60 KDM4E (0.63) KDM4EALDH1A1HPGDKLK7
SCHEMBL9819024 0.59 KDM4E (0.61) KDM4EALDH1A1HPGDKLK7
SCHEMBL10569736 0.58 CA2 (0.44) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263787-B2 Process for preparing dorzolamide CIPLA LIMITED (IN) 2012-09-11 US disclosed
WO-2010061398-A1 PROCESS FOR PREPARING DORZOLAMIDE HYDROCHLORIDE AND ITS INTERMEDIATE SUVEN LIFE SCIENCES LIMITED (IN) 2010-06-03 WO disclosed
US-20100113804-A1 Process for Preparing Dorzolamide CIPLA LIMITED (IN) 2010-05-06 US disclosed
EP-0296879-B1 SUBSTITUTED AROMATIC SULFONAMIDES AS ANTIGLAUCOMA AGENTS MERCK & CO. INC. (US) 1993-03-17 EP disclosed
US-4863922-A Substituted aromatic sulfonamides as antiglaucoma agents, compositions and use MERCK & CO., INC. (US) 1989-09-05 US disclosed
EP-0296879-A1 Substituted aromatic sulfonamides as antiglaucoma agents MERCK & CO. INC. (US) 1988-12-28 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 (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-20100113804-A1 Process for Preparing Dorzolamide SQOR, PPOX, DAO KDM4E 2357/4885ALDH1A1 275/4885HPGD 326/4885

“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.