SCHEMBL644740

SCHEMBL644740

CCOC(=O)c1cc(OC(C)=O)c2cc(C)sc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
STAT1 P42224 1/20 0.41
HSD17B2 P37059 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ICAM1 P05362 2/20 0.38
SELE P16581 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HCRTR1 O43613 1/20 0.38
HSD17B10 Q99714 2/20 0.38
BCL2L1 Q07817 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
SCHEMBL643460 0.81 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL644036 0.81 TSHR (0.43) CA12CA1CA2CA7CA9
SCHEMBL10253414 0.79 ICAM1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL692586 0.77 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL1848446 0.77 KMT2A (0.48) CA12CA1CA2CA7CA9
SCHEMBL642078 0.76 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL3328123 0.75 HTT (0.48) CA12CA1CA2CA7CA9
SCHEMBL20565486 0.75 HSD17B2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL644148 0.74 ICAM1 (0.46) NPC1RAB9ASMN1; SMN2KDM4EICAM1
SCHEMBL643132 0.74 KDM4E (0.45) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237547-B1 DIRECT DYES AND COMPOSITION COMPRISING THE DYES KAO GERMANY GMBH (DE) 2019-03-20 EP disclosed
US-10196520-B2 Direct dyes and composition comprising the dyes KAO GERMANY GMBH (DE) 2019-02-05 US disclosed
US-20170362436-A1 DIRECT DYES AND COMPOSITION COMPRISING THE DYES KAO GERMANY GMBH (DE) 2017-12-21 US disclosed
EP-3237547-A1 DIRECT DYES AND COMPOSITION COMPRISING THE DYES Kao Germany GmbH (DE) 2017-11-01 EP disclosed
WO-2016102207-A1 DIRECT DYES AND COMPOSITION COMPRISING THE DYES KAO GERMANY GMBH (DE) 2016-06-30 WO disclosed
EP-3037485-A1 Direct dyes and composition comprising the dyes Kao Germany GmbH (DE) 2016-06-29 EP disclosed
EP-2463283-B1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases PFIZER PROD INC (US) 2014-06-11 EP disclosed
EP-2463283-B1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases PFIZER PROD INC (US) 2014-06-11 EP disclosed
EP-2010520-B1 HETEROBICYCLIC AMIDES FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PROD INC (US) 2012-09-12 EP disclosed
EP-2010520-B1 HETEROBICYCLIC AMIDES FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PROD INC (US) 2012-09-12 EP disclosed
US-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds PFIZER INC 2011-02-17 US disclosed
US-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds PFIZER INC 2011-02-17 US disclosed
US-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds PFIZER INC 2011-02-17 US disclosed
US-7842713-B2 Fused phenyl amido heterocyclic compounds PFIZER INC (US) 2010-11-30 US disclosed
US-7842713-B2 Fused phenyl amido heterocyclic compounds PFIZER INC (US) 2010-11-30 US disclosed
EP-2010520-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES Pfizer Products Incorporated (US) 2009-01-07 EP disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 US disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 US disclosed
WO-2007122482-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2007-11-01 WO disclosed
WO-2007122482-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2007-11-01 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 (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-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds GCK, GCKR, HK1 CA12 3102/4885CA1 1547/4885CA2 574/4885
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS GCK, GCKR, HK1 CA12 3102/4885CA1 1547/4885CA2 574/4885
US-10196520-B2 Direct dyes and composition comprising the dyes KRT18, TUBB4A, BRDT CA12 976/4885CA1 2095/4885CA2 1735/4885

“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.