SCHEMBL2647013

SCHEMBL2647013

COC(=O)C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.54
▸ TSHR P16473 2/20 0.53
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SRD5A2 P31213 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R2 Q8TE23 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ BCAT2 O15382 1/20 0.44

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
SCHEMBL38658161 0.84 MAPT (0.52) HPGDTSHRMEN1KMT2AKDM4E
SCHEMBL38658148 0.84 MAPT (0.52) HPGDTSHRMEN1KMT2AKDM4E
SCHEMBL38658644 0.84 MAPT (0.50) HPGDMEN1KMT2ANPC1MAPT
SCHEMBL28440558 0.82 MAPT (0.42) HPGDMEN1KMT2AKDM4ENPC1
SCHEMBL19309852 0.81 HPGD (0.51) HPGDTSHRMEN1KMT2AKDM4E
SCHEMBL2164171 0.81 HPGD (0.38) HPGDTSHRMEN1KMT2AKDM4E
SCHEMBL28438847 0.81 TDP1 (0.46) HPGDMAPTTAS1R3TAS1R2ALDH1A1
SCHEMBL3184435 0.81 TSHR (0.70) HPGDTSHRMEN1KMT2AKDM4E
SCHEMBL2643972 0.80 TSHR (0.50) HPGDTSHRKMT2AKDM4EMAPT
SCHEMBL10921356 0.80 TSHR (0.48) HPGDTSHRMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242397-B1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-09-28 — — EP disclosed
EP-1305301-B1 ALPHA-ACYL AND ALPHA-HETEROATOM-SUBSTITUTED BENZENE ACETAMIDE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-06-15 — — EP disclosed
US-6608218-B2 Such as 1-(cyclopentyloxy-(3,4-dichloro-phenyl)-acetyl)-3-methyl-urea for treatment of diabetes HOFFMANN-LA ROCHE INC. 2003-08-19 — — US disclosed
EP-1305301-A1 ALPHA-ACYL AND ALPHA-HETEROATOM-SUBSTITUTED BENZENE ACETAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-02 — — EP disclosed
US-20020198200-A1 Alpha-acyl- and alpha-heteroatom-substituted benzene acetamide glucokinase activators KESTER ROBERT F (US) 2002-12-26 — — US disclosed
US-6486184-B2 1-(CYCLOPENTYLOXY-(3,4-DICHLORO- PHENYL)-ACETYL)-3-METHYL-UREA FOR EXAMPLE; USE IN TREATING HYPERGLYCEMIA CHARACTERISTIC OF ALL TYPE II DIABETES HOFFMANN-LA ROCHE INC. 2002-11-26 — — US disclosed
EP-1242397-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 — — EP disclosed
US-20020042512-A1 Alpha-acyl- and alpha-heteroatom-substituted benzene acetamide glucokinase activators KESTER ROBERT F (US) 2002-04-11 — — US disclosed
US-6353111-B1 WHICH INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES; 2,3-DI-SUBSTITUTED TRANS OLEFINIC N-HETEROAROMATIC OR URIDO PROPIONAMIDES: THE SUBSTITUTION AT THE 2-POSITION BEING A SUBSTITUTED PHENYL GROUP AND AT THE 3-POSITION A HOFFMANN-LA ROCHE INC. 2002-03-05 — — US disclosed
WO-2002008209-A1 ALPHA-ACYL AND ALPHA-HETEROATOM-SUBSTITUTED BENZENE ACETAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 — — WO disclosed
WO-2001044216-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-06-21 — — WO disclosed
US-4698333-A Use of substituted malonic acid derivatives as agents for combating pests BAYER AKTIENGESELLSCHAFT (DE) 1987-10-06 — — US disclosed
EP-0076957-B1 DIAMIDES OF SUBSTITUTED HYDROXYMALONIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1986-04-09 — — EP disclosed
EP-0108351-A2 Use of substituted malonic-acid derivatives as pesticides BAYER AG (DE) 1984-05-16 — — EP disclosed
EP-0076957-A1 Diamides of substituted hydroxymalonic acids, process for their preparation and their use as pesticides BAYER AG (DE) 1983-04-20 — — 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 (2 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-20020042512-A1 Alpha-acyl- and alpha-heteroatom-substituted benzene acetamide glucokinase activators GCK, GCKR, ALDOA HPGD 1396/4885TSHR 3506/4885MEN1 4421/4885
US-20020198200-A1 Alpha-acyl- and alpha-heteroatom-substituted benzene acetamide glucokinase activators GCK, GCKR, ALDOA HPGD 1297/4885TSHR 3583/4885MEN1 4368/4885

“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.

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