SCHEMBL1200332

SCHEMBL1200332

N#CC(O)c1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 10/20 0.46
MEN1 O00255 8/20 0.46
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.46
GSK3B P49841 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
LMNA P02545 2/20 0.41
ALPL P05186 1/20 0.41
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 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
SCHEMBL11134429 0.78 KMT2A (0.59) HPGDSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL1695140 0.77 CYP1A2 (0.50) HPGDKMT2AMEN1ALDH1A1SGMS2
SCHEMBL1694369 0.77 CYP1A2 (0.50) HPGDKMT2AMEN1ALDH1A1SGMS2
SCHEMBL1695138 0.77 CYP1A2 (0.50) HPGDKMT2AMEN1ALDH1A1SGMS2
SCHEMBL1823318 0.76 ALDH1A1 (0.46) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL6749821 0.76 KMT2A (0.53) HPGDSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL1200401 0.76 KMT2A (0.43) HPGDSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL1199801 0.74 LMNA (0.50) HPGDSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL11628678 0.73 KMT2A (0.53) HPGDSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL1200724 0.73 TSHR (0.39) HPGDSMN1; SMN2ALDH1A1CA1CA2

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 HPGD 1408/4885SMN1; SMN2 2884/4885KMT2A 1113/4885

“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.