SCHEMBL1200695

SCHEMBL1200695

Cc1cccc(C=O)c1S(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TSHR P16473 1/20 0.56
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TRIM24 O15164 2/20 0.42
TRIM33 Q9UPN9 2/20 0.42
HPGD P15428 1/20 0.39
ERN1 O75460 3/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
TLR2 O60603 1/20 0.36
TLR1 Q15399 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
SCHEMBL30450974 1.00 ALDH1A1 (0.56) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL4158892 0.82 KEAP1 (0.45) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL8973827 0.82 ALDH1A1 (0.54) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL18343591 0.80 ALDH1A1 (0.52) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL28860160 0.78 TDP1 (0.50) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL29956925 0.76 ALDH1A1 (0.62) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL548632 0.76 ALDH1A1 (0.62) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL29459966 0.73 TSHR (0.65) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL29444 0.73 TSHR (0.65) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL14876792 0.73 ALDH1A1 (0.65) ALDH1A1TSHRMEN1KMT2ALMNA

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-8309753-B2 Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-10 US disclosed
EP-2264005-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-12-22 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 (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-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND CBR3, ACSL3, CCNL2 ALDH1A1 129/4885TSHR 4501/4885MEN1 1561/4885

“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.