SCHEMBL12315840

SCHEMBL12315840

C[C@H]1C[C@H](O)c2ccsc2S1(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.35
GAA P10253 1/20 0.34
GRIN2B Q13224 1/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CA1 P00915 3/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
AR P10275 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL4573895 1.00 CA2 (0.35) CA2GAAGRIN2BLMNAALDH1A1
SCHEMBL3303040 1.00 CA2 (0.35) CA2GAAGRIN2BLMNAALDH1A1
SCHEMBL4329539 1.00 CA2 (0.35) CA2GAAGRIN2BLMNAALDH1A1
SCHEMBL3346701 1.00 CA2 (0.35) CA2GAAGRIN2BLMNAALDH1A1
SCHEMBL12315839 0.76 CA2 (0.37) CA2GAALMNAALDH1A1CA1
SCHEMBL6092290 0.76 CA2 (0.37) CA2GAALMNAALDH1A1CA1
SCHEMBL18651228 0.75 CA2 (0.34) CA2LMNACA1CA12CA3
SCHEMBL4196353 0.75 CA2 (0.54) CA2LMNACA1CA12CA3
SCHEMBL13852709 0.75 CA2 (0.54) CA2LMNACA1CA12CA3
SCHEMBL12315845 0.75 CA2 (0.54) CA2LMNACA1CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683724-B1 ASYMMETRIC REDUCTION PROCESS ZACH SYSTEM SPA (IT) 2015-05-06 EP disclosed
US-8927740-B2 Asymmetric reduction process ZACH SYSTEM S.P.A. (IT) 2015-01-06 US disclosed
EP-2683724-A1 ASYMMETRIC REDUCTION PROCESS ZaCh System S.p.A. (IT) 2014-01-15 EP disclosed
WO-2012120086-A1 ASYMMETRIC REDUCTION PROCESS ZACH SYSTEM S.P.A. (IT) 2012-09-13 WO disclosed
US-8263787-B2 Process for preparing dorzolamide CIPLA LIMITED (IN) 2012-09-11 US disclosed
US-8263787-B2 Process for preparing dorzolamide CIPLA LIMITED (IN) 2012-09-11 US disclosed
WO-2011101704-A1 PROCESS FOR PREPARING (4S, 6S)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO-[2,3-B]THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE AND ITS INTERMEDIATES MICRO LABS LIMITED (IN) 2011-08-25 WO disclosed
US-20100113804-A1 Process for Preparing Dorzolamide CIPLA LIMITED (IN) 2010-05-06 US disclosed
US-20100113804-A1 Process for Preparing Dorzolamide CIPLA LIMITED (IN) 2010-05-06 US disclosed
WO-2008135770-A2 PROCESS FOR PREPARING DORZOLAM IDE CIPLA LIMITED (IN) 2008-11-13 WO 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 CA2 605/4885GAA 2296/4885GRIN2B 2940/4885

“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.