SCHEMBL6788403

SCHEMBL6788403

Cc1cc(C(=O)CCl)c(C)s1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.70
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR1A P08908 1/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6795205 0.82 GSK3B (1.00) GSK3BALDH1A1MAPK1HIF1AMAPT
SCHEMBL3720571 0.80 GSK3B (0.46) GSK3BALDH1A1MAPK1MAPTLMNA
SCHEMBL11600908 0.78 GSK3B (0.44) GSK3BALDH1A1MAPK1MAPTLMNA
SCHEMBL6204323 0.77 GSK3B (0.43) GSK3BALDH1A1MAPK1MAPTLMNA
SCHEMBL11845297 0.77 ALDH1A1 (0.41) GSK3BALDH1A1MAPK1MAPTLMNA
SCHEMBL2996683 0.76 ALDH1A1 (0.44) GSK3BALDH1A1MAPK1MAPTLMNA
SCHEMBL11848005 0.76 ALDH1A1 (0.44) GSK3BALDH1A1MAPK1MAPTLMNA
SCHEMBL248005 0.74 SMN1; SMN2 (0.43) GSK3BALDH1A1MAPK1MAPTLMNA
SCHEMBL287087 0.74 ALDH1A1 (0.57) GSK3BALDH1A1MAPK1MAPTLMNA
SCHEMBL13739552 0.73 GSK3B (0.55) GSK3BALDH1A1MAPK1HIF1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4/4885ALDH1A1 2709/4885MAPK1 1945/4885

“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.