SCHEMBL1201136

SCHEMBL1201136

N#CC(O)c1ccccc1CS(=O)(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
DRD3 P35462 4/20 0.31
DRD2 P14416 3/20 0.31
HTR1D P28221 3/20 0.31
DPP4 P27487 1/20 0.30
FAP Q12884 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
SCHEMBL1199394 0.80 TSHR (0.39) TSHR
SCHEMBL1199642 0.78 MAPT (0.45) TSHR
SCHEMBL1200548 0.74 TSHR (0.45) TSHR
SCHEMBL1199521 0.73 ALDH1A1 (0.44)
SCHEMBL1200401 0.70 KMT2A (0.43)
SCHEMBL13937393 0.69 TSHR (0.61) TSHR
SCHEMBL13090180 0.69 KMT2A (0.49) DRD3DRD2HTR1D
SCHEMBL11594321 0.68 TSHR (0.47) TSHR
SCHEMBL8755381 0.68 MEN1 (0.40) TSHR
SCHEMBL3157420 0.67 ALDH1A1 (0.36) TSHRDRD3DRD2HTR1D

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 4501/4885DRD3 3327/4885DRD2 3550/4885

“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.