SCHEMBL5430675

SCHEMBL5430675

COC(=O)c1cc(-c2ccc(F)c(F)c2)sc1NC1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.42
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GABRA5 P31644 1/20 0.39
KCNH2 Q12809 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
GAK O14976 1/20 0.36
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL5435719 0.89 IKBKB (0.46) CHEK1ALDH1A1HPGDCASP1CASP7
SCHEMBL5434890 0.84 CHEK1 (0.44) CHEK1GABRA5GAK
SCHEMBL5728057 0.83 GABRA5 (0.38) CHEK1GABRA5KCNH2HDAC3HDAC1
SCHEMBL14505526 0.78 CHEK1 (0.53) CHEK1ALDH1A1HPGDCASP1CASP7
SCHEMBL14505487 0.75 ALDH1A1 (0.62) CHEK1ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL5434922 0.74 ALDH1A1 (0.35) ALDH1A1HPGDHSD17B10SLC6A3GABRA5
SCHEMBL5434926 0.74 ALDH1A1 (0.35) ALDH1A1HPGDHSD17B10SLC6A3GABRA5
SCHEMBL14505508 0.74 ALDH1A1 (0.35) ALDH1A1HPGDHSD17B10SLC6A3GABRA5
SCHEMBL5435729 0.73 ALDH1A1 (0.42) CHEK1ALDH1A1HPGDCASP1CASP7
SCHEMBL5431828 0.73 MAPT (0.66) ALDH1A1HPGDHSD17B10MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2861706-B1 FABRIC CONDITIONING COMPOSITION AND USE THEREOF RHODIA OPERATIONS (FR) 2017-12-06 EP disclosed
US-20150197708-A1 Fabric Conditioning Composition And Use Thereof RHODIA OPERATIONS (FR) 2015-07-16 US disclosed
US-8821845-B2 Concentrated ingredient for treating and/or modifying surfaces, and use thereof in cosmetic compositions RHODIA CHIMIE (FR) 2014-09-02 US disclosed
US-20070148116-A1 Concentrated ingredient for treating and/or modifying surfaces, and use thereof in cosmetic compositions RHODIA CHIMIE (FR) 2007-06-28 US disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 US disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 US disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 US 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-20070148116-A1 Concentrated ingredient for treating and/or modifying surfaces, and use thereof in cosmetic compositions PLOD3, CUTA, PLOD2 CHEK1 2951/4885ALDH1A1 676/4885HPGD 647/4885
US-20070099929-A1 Substituted thiophenes TPMT, HAVCR2, MTAP CHEK1 2578/4885ALDH1A1 1246/4885HPGD 2665/4885

“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.