SCHEMBL766117

SCHEMBL766117

O=C(CBr)c1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.58
GSK3B P49841 5/20 0.58
PTPN1 P18031 5/20 0.58
CES2 O00748 2/20 0.47
ACP1 P24666 1/20 0.43
DDR1 Q08345 2/20 0.41
TAS2R14 Q9NYV8 1/20 0.38
CNR1 P21554 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
TMPRSS4 Q9NRS4 1/20 0.36

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
SCHEMBL630414 0.89 PTPN1 (0.66) NOTUMGSK3BPTPN1CES2HDAC3
SCHEMBL27856961 0.86 NOTUM (0.63) NOTUMGSK3BPTPN1CES2ACP1
SCHEMBL28056419 0.84 NOTUM (0.57) NOTUMGSK3BPTPN1CES2ACP1
SCHEMBL865889 0.82 PTPN1 (0.58) NOTUMGSK3BPTPN1CES2DDR1
SCHEMBL13807238 0.82 GSK3B (0.46) NOTUMGSK3BPTPN1HDAC3HDAC8
SCHEMBL766063 0.81 GSK3B (0.56) GSK3BPTPN1CES2DDR1HDAC3
SCHEMBL7786074 0.81 GSK3B (0.56) NOTUMGSK3BPTPN1CES2TAS2R14
SCHEMBL12187811 0.81 PTPN1 (0.56) NOTUMGSK3BPTPN1CES2HDAC8
SCHEMBL5055139 0.80 GSK3B (0.60) GSK3BPTPN1KMT2A
SCHEMBL494019 0.79 NOTUM (0.64) NOTUMCES2ACP1DDR1TAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419413-B1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL (JP) 2016-11-23 EP disclosed
US-8853215-B2 Derivatives of N-acyl-N′-phenylpiperazine useful (inter alia) for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-07 US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 EP disclosed
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 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-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES RBP4, RBP1, FABP4 NOTUM 2302/4885GSK3B 4719/4885PTPN1 2423/4885
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A NOTUM 2604/4885GSK3B 1486/4885PTPN1 1182/4885

“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.