SCHEMBL1200401

SCHEMBL1200401

N#CC(O)c1ccccc1CS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 7/20 0.43
HPGD P15428 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 2/20 0.41
CA12 O43570 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TLR9 Q9NR96 1/20 0.40
F2 P00734 2/20 0.39

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
SCHEMBL1694369 0.77 CYP1A2 (0.50) KMT2AMEN1ALDH1A1HPGDCYP1A2
SCHEMBL1695140 0.77 CYP1A2 (0.50) KMT2AMEN1ALDH1A1HPGDCYP1A2
SCHEMBL1695138 0.77 CYP1A2 (0.50) KMT2AMEN1ALDH1A1HPGDCYP1A2
SCHEMBL1200332 0.76 HPGD (0.46) KMT2AMEN1ALDH1A1HPGDCA1
SCHEMBL1199521 0.74 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1RAB9ACYP3A4
SCHEMBL6543903 0.74 KMT2A (0.58) KMT2AMEN1ALDH1A1HPGDCA1
SCHEMBL3155966 0.73 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL1199394 0.73 TSHR (0.39) CA1CA2
SCHEMBL1201247 0.71 KMT2A (0.50) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL1201136 0.70 TSHR (0.36)

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 KMT2A 1113/4885MEN1 1561/4885ALDH1A1 129/4885

“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.