SCHEMBL1962068

SCHEMBL1962068

O=S(=O)(CCO)c1cc[c]cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.59
LOX P28300 2/20 0.42
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.38
HSD11B1 P28845 1/20 0.36
KCNH2 Q12809 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL9325260 0.84 CA2 (0.78) CA2LOXPOLBALDH1A1CYP3A4
SCHEMBL9771535 0.81 CA2 (0.38) CA2POLBALDH1A1CYP3A4CYP2C9
SCHEMBL1960675 0.78 ALDH1A1 (0.42) CA2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4365964 0.78 CA2 (0.39) CA2LOXALDH1A1CYP3A4CYP2C9
SCHEMBL7754772 0.78 ALDH1A1 (0.38) CA2POLBALDH1A1CYP3A4CYP2C9
SCHEMBL2454945 0.77 CA2 (0.63) CA2POLBALDH1A1TP53HSD11B1
SCHEMBL10792219 0.77 CA2 (0.69) CA2LOXPOLBALDH1A1CYP3A4
SCHEMBL4524280 0.76 CA2 (0.47) CA2LOXPOLBALDH1A1HSD11B1
SCHEMBL8022461 0.76 CA2 (0.35) CA2POLBALDH1A1CYP3A4CYP2C9
SCHEMBL4611003 0.76 CA2 (0.35) CA2LOXALDH1A1CYP3A4CYP2C9

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745474-B2 Acid dyes, process for the production thereof and their use DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2017-08-29 US claimed
EP-3063232-B1 ACID DYES, PROCESS FOR THE PRODUCTION THEREOF AND THEIR USE DYSTAR COLOURS DISTRIB GMBH (DE) 2017-05-17 EP claimed
US-9650516-B2 Acid dyes, process for the production thereof and their use DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2017-05-16 US claimed
EP-3063229-B1 ACID DYES, PROCESS FOR THEIR PRODUCTION AND THEIR USE DYSTAR COLOURS DISTRIB GMBH (DE) 2016-12-14 EP claimed
US-20160264783-A1 ACID DYES, PROCESS FOR THE PRODUCTION THEREOF AND THEIR USE DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2016-09-15 US claimed
US-20160257816-A1 ACID DYES, PROCESS FOR THE PRODUCTION THEREOF AND THEIR USE DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2016-09-08 US claimed
EP-3063229-A1 ACID DYES, PROCESS FOR THEIR PRODUCTION AND THEIR USE DyStar Colours Distribution GmbH (DE) 2016-09-07 EP claimed
EP-3063232-A1 ACID DYES, PROCESS FOR THE PRODUCTION THEREOF AND THEIR USE DyStar Colours Distribution GmbH (DE) 2016-09-07 EP claimed
CN-105683297-A Acid dyes, process for the production thereof and their use 德司达染料分销有限公司 2016-06-15 CN claimed
CN-102686587-B Azaindole glucokinase activators HOFFMANN LA ROCHE 2015-05-27 CN claimed
CN-102686587-A Azaindole glucokinase activators HOFFMANN LA ROCHE 2012-09-19 CN claimed
US-8222416-B2 Azaindole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US claimed
WO-2011073117-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO claimed
US-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2011-06-16 US claimed
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP claimed
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP claimed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO claimed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 CA2 2297/4885LOX 1669/4885POLB 3362/4885
US-20080103141-A1 New compounds GPR119, GPR3, GPR4 CA2 1140/4885LOX 3758/4885POLB 4644/4885
US-20080103123-A1 New compounds GPR119, GPR139, GPR180 CA2 1045/4885LOX 3760/4885POLB 4633/4885

“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.