SCHEMBL6784646

SCHEMBL6784646

O=C(c1ccc(C(F)(F)F)cc1)C(Br)Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 1.00
CES2 O00748 2/20 0.61
CES1 P23141 2/20 0.61
PTPN1 P18031 2/20 0.55
SRD5A2 P31213 2/20 0.52
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
SLC6A4 P31645 1/20 0.45
PDPK1 O15530 1/20 0.45
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX2 P34913 1/20 0.44
MMP1 P03956 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
PTGS1 P23219 1/20 0.43

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
SCHEMBL786834 0.84 GSK3B (0.72) GSK3BCES2CES1PTPN1SRD5A2
SCHEMBL9644843 0.82 GSK3B (0.76) GSK3BCES2CES1SRD5A2PDPK1
SCHEMBL10847368 0.81 CES2 (0.69) GSK3BCES2CES1PTPN1SRD5A2
SCHEMBL3366395 0.79 GSK3B (0.66) GSK3BSRD5A2MEN1TSHRKMT2A
SCHEMBL8534398 0.79 GSK3B (0.66) GSK3BCES2CES1PTPN1SRD5A2
SCHEMBL9022367 0.78 GSK3B (0.64) GSK3BCES2CES1PTPN1SRD5A2
SCHEMBL3107743 0.78 GSK3B (0.64) GSK3BCES2CES1PTPN1SRD5A2
SCHEMBL5052384 0.78 GSK3B (0.64) GSK3BCES2CES1PTPN1SRD5A2
SCHEMBL2181232 0.78 CES2 (0.70) GSK3BCES2CES1PTPN1SRD5A2
SCHEMBL8553654 0.78 CES2 (0.65) GSK3BCES2CES1PTPN1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546126-B1 PROCESS FOR PRODUCING TRIFLUOROMETHYL-SUBSTITUTED 2-ALKOXYACETOPHENONE DERIVATIVES CENTRAL GLASS CO LTD (JP) 2007-11-21 EP disclosed
US-7189863-B2 Process for producing trifluoromethyl-substituted 2-alkoxyacetophenone derivatives CENTRAL GLASS COMPANY, LIMITED (JP) 2007-03-13 US disclosed
US-6747057-B2 SUCH 1-(2-BROMO-4,5-DICHLORO-THIOPHEN-3-YL)-2-CHLORO-ETHANONE FOR TREATMENT OF ALZHEIMER'S DISEASE OR DIABETES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2004-06-08 US disclosed
US-20030199508-A1 Compounds and their therapeutic use UNIVERSIDAD AUTONOMA DE MADRID (UAM) (ES) 2003-10-23 US disclosed
WO-2003055479-A1 COMPOUNDS AND THEIR THERAPEUTIC USE RELATED TO THE PHOSPHORYLATING ACTIVITY OF THE ENZYME GSK-3 CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2003-07-10 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 (1 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-20030199508-A1 Compounds and their therapeutic use CNKSR1, CBR1, CBR3 GSK3B 4/4885CES2 215/4885CES1 210/4885

“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.