SCHEMBL1199980

SCHEMBL1199980

CSCc1ccccc1C(O)C#N

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
IDO1 P14902 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1200211 0.83 TSHR (0.39) TSHR
SCHEMBL1200866 0.83 TSHR (0.39) TSHR
SCHEMBL1200548 0.80 TSHR (0.45) TSHRL3MBTL1
SCHEMBL1200647 0.80 TSHR (0.43) TSHRTDP1L3MBTL1
SCHEMBL1200951 0.76 TSHR (0.41) TSHRTDP1L3MBTL1
SCHEMBL1201165 0.75 LMNA (0.38) TSHRTDP1L3MBTL1
SCHEMBL27836988 0.75 CYSLTR2 (0.43) TSHR
SCHEMBL13937393 0.74 TSHR (0.61) TSHRL3MBTL1
SCHEMBL11594321 0.74 TSHR (0.47) TSHRL3MBTL1
SCHEMBL18946087 0.74 GABRA1 (0.41) TSHRL3MBTL1

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
CN-102007095-B Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL CO.,LTD. (JP) 2014-10-08 CN disclosed
US-8309753-B2 Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-13 US disclosed
CN-102007095-A Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL CO 2011-04-06 CN 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 4501/4885IDO1 2170/4885TDP1 4826/4885

“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.