SCHEMBL3308161

SCHEMBL3308161

CCC(C(O)=S)c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KEAP1 Q14145 1/20 0.36
CYP2C19 P33261 1/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL2071309 0.81 CYP2C19 (0.46) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL10210730 0.76 ALOX5 (0.50) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL27347276 0.76 ALOX5 (0.42) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL6464486 0.76 ALOX5 (0.50) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL14782240 0.76 ALOX5 (0.40) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL25358790 0.74 MME (0.43) ALOX5CES2CES1KEAP1GAA
SCHEMBL30174080 0.74 HPGD (0.41) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL667372 0.74 HPGD (0.41) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL10541760 0.74 LDHA (0.45) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20899846 0.73 GAA (0.42) ALOX5CES2CES1KEAP1GAA

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 13 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
US-20100113804-A1 Process for Preparing Dorzolamide CIPLA LIMITED (IN) 2010-05-06 US disclosed
EP-2152718-A2 PROCESS FOR PREPARING DORZOLAMIDE Cipla Limited (IN) 2010-02-17 EP disclosed
US-20090137821-A1 Method of making dorzolamide hydrochloride KOVACS LASZLO ZSOLT 2009-05-28 US disclosed
WO-2008135770-A2 PROCESS FOR PREPARING DORZOLAM IDE CIPLA LIMITED (IN) 2008-11-13 WO disclosed
CN-101098874-A Method of making dorzolamide hydrochloride TEVA GYOGYSZERGYAR ZARTKOER EN (HU) 2008-01-02 CN disclosed
EP-1753769-A2 METHOD OF MAKING DORZOLAMIDE HYDROCHLORIDE TEVA Gyógyszergyár Zártkörüen Müködö Részvénytársaság (HU) 2007-02-21 EP disclosed
US-20060155132-A1 Method of making dorzolamide hydrochloride TEVA PHARMACEUTICALS USA, INC. 2006-07-13 US disclosed
WO-2006074230-A2 METHOD OF MAKING DORZOLAMIDE HYDROCHLORIDE TEVA GYÓGYSZERGYÁR ZÁRTKÖRÜEN MÜKÖDÖ RÉSZVÉNYTÁRSASÁG (HU) 2006-07-13 WO disclosed
US-7030250-B2 Process for obtaining 4-(N-alkylamino)-5,6-dihydro-4H-thien-(2,3-b)-thiopyran-2-sulfonamide-7,7-dioxides and intermediates RAGATIVES, S.L. (ES) 2006-04-18 US disclosed
EP-1329453-B1 METHOD FOR OBTAINING 4-(N-ALKYLAMINE)-5, 6-DIHYDRO-4H-THIENO-(2,3-B)-THIOPYRAN-2-SULFONAMIDE-7, 7-DIOXIDES AND INTERMEDIATE PRODUCTS RAGACTIVES SL (ES) 2004-06-16 EP disclosed
US-20030220509-A1 Process for obtaining 4-(N-alkylamino)-5,6-dihydro-4H-thien-(2,3-b)-thiopyran-2-sulfonamide-7,7-dioxides and intermediates RAGACTIVES, S.L. 2003-11-27 US disclosed
EP-1329453-A1 METHOD FOR OBTAINING 4-(N-ALKYLAMINE)-5, 6-DIHYDRO-4H-THIENO-(2,3-B)-THIOPYRAN-2-SULFAMIDE-7, 7-DIOXIDES AND INTERMEDIATE PRODUCTS Ragactives, S.L. (ES) 2003-07-23 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 (4 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 ALOX5 782/4885CES2 1277/4885CES1 724/4885
US-20060155132-A1 Method of making dorzolamide hydrochloride CYP3A4, CYP3A43, CYP2C19 ALOX5 513/4885CES2 584/4885CES1 101/4885
US-20030220509-A1 Process for obtaining 4-(N-alkylamino)-5,6-dihydro-4H-thien-(2,3-b)-thiopyran-2-sulfonamide-7,7-dioxides and intermediates CA7, CA2, CA4 ALOX5 816/4885CES2 1116/4885CES1 66/4885
US-20090137821-A1 Method of making dorzolamide hydrochloride CYP3A4, CYP3A43, CYP2C19 ALOX5 513/4885CES2 584/4885CES1 101/4885

“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.