SCHEMBL3576264

SCHEMBL3576264

COCCCN1C[C@H](O)c2cc(S(N)(=O)=O)sc2S1(=O)=O

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.79
CA4 P22748 3/20 0.79
CA1 P00915 3/20 0.72
CA12 O43570 2/20 0.72
CA6 P23280 2/20 0.72
CA5A P35218 2/20 0.72
CA7 P43166 2/20 0.72
CA9 Q16790 2/20 0.72
CA13 Q8N1Q1 2/20 0.72
CA14 Q9ULX7 2/20 0.72
CA5B Q9Y2D0 2/20 0.72
LMNA P02545 1/20 0.72
CA3 P07451 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL3586580 1.00 CA2 (0.79) CA2CA4CA1CA12CA6
SCHEMBL2631258 1.00 CA2 (0.79) CA2CA4CA1CA12CA6
SCHEMBL7847722 0.94 CA2 (0.69) CA2CA4CA1CA12CA6
SCHEMBL7517336 0.94 CA2 (0.69) CA2CA4CA1CA12CA6
SCHEMBL8950315 0.90 CA2 (0.64) CA2CA4CA1CA12CA6
N-Desethyl Brinzolamide SCHEMBL2631262 0.88 CA2 (1.00) CA2CA4CA1CA12CA6
SCHEMBL9600441 0.87 CA2 (0.70) CA2CA4CA1CA12CA6
SCHEMBL9595980 0.86 CA2 (0.60) CA2CA4CA1CA12CA6
N-Desethyl Brinzolamide SCHEMBL31252384 0.86 CA2 (0.90) CA2CA4CA1CA12CA6
SCHEMBL31252424 0.85 CA2 (0.82) CA2CA4CA1CA12CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009977-A1 Process for the preparation of (R)-(+)-4-(Ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide. USV LTD. (IN) 2010-01-14 US claimed
US-20100009977-A1 Process for the preparation of (R)-(+)-4-(Ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide. USV LTD. (IN) 2010-01-14 US disclosed
US-20100009977-A1 Process for the preparation of (R)-(+)-4-(Ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide. USV LTD. (IN) 2010-01-14 US disclosed
EP-2079749-A2 IMPROVED PROCESS FOR THE PREPARATION OF (R)-(+)-4-(ETHYIAMINO)-3,4-DIHYDRO-2-(3- METHOXYPROPYL)-2H-THIENO[3,2-E]-L,2-THIAZINE-6-SULFONAMIDE-L,L-DIOXIDE USV LIMITED (IN) 2009-07-22 EP disclosed
WO-2008062463-A2 IMPROVED PROCESS FOR THE PREPARATION OF (R)-(+)-4-(ETHYIAMINO)-3,4-DIHYDRO-2-(3- METHOXYPROPYL)-2H-THIENO[3,2-E]-L,2-THIAZINE-6-SULFONAMIDE-L,L-DIOXIDE USV LIMITED (IN) 2008-05-29 WO disclosed
US-5679670-A CONTROLLING INTRAOCULAR PRESSURE ALCON LABORATORIES, INC. (US) 1997-10-21 US disclosed
US-5378703-A FOR CONTROLLING INTRAOCULAR PRESSURE ALCON LABORATORIES, INC. (US) 1995-01-03 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-20100009977-A1 Process for the preparation of (R)-(+)-4-(Ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide. SULT1E1, SULT1A1, SULT2A1 CA2 1631/4885CA4 709/4885CA1 2298/4885

“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.