SCHEMBL1200647

SCHEMBL1200647

N#CC(O)c1ccccc1CSc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
KMT2A Q03164 2/20 0.42
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
EGFR P00533 4/20 0.37
ERBB2 P04626 2/20 0.37
HSD17B3 P37058 1/20 0.36
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
FFAR1 O14842 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1199980 0.80 TSHR (0.41) TSHRTDP1L3MBTL1
SCHEMBL1200211 0.77 TSHR (0.39) TSHRKMT2AALDH1A1GAAMEN1
SCHEMBL1201165 0.76 LMNA (0.38) TSHRKMT2AALDH1A1GAATDP1
SCHEMBL11594321 0.75 TSHR (0.47) TSHRKMT2AEGFRL3MBTL1MEN1
SCHEMBL1200548 0.74 TSHR (0.45) TSHRKMT2AALDH1A1GAANPSR1
SCHEMBL13937393 0.72 TSHR (0.61) TSHRKMT2AALDH1A1GAAL3MBTL1
SCHEMBL1201002 0.71 TSHR (0.43) TSHRMAOBALDH1A1NPC1RAB9A
SCHEMBL1200866 0.71 TSHR (0.39) TSHR
SCHEMBL27854360 0.71 TSHR (0.43) TSHRMAOBALDH1A1NPC1RAB9A
SCHEMBL8589494 0.70 MAOA (0.44) TSHRKMT2AMAOAMAOBEGFR

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 TSHR 4501/4885KMT2A 1113/4885MAOA 1950/4885

“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.