SCHEMBL1201247

SCHEMBL1201247

O=Cc1ccccc1CS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
ACHE P22303 1/20 0.46
ERN1 O75460 1/20 0.45
ALDH1A1 P00352 7/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL3155966 0.79 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL7896686 0.74 KMT2A (0.68) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL12751034 0.73 KMT2A (0.66) KMT2AMEN1ACHEALDH1A1CA1
SCHEMBL7058489 0.72 KMT2A (0.59) KMT2AMEN1ALDH1A1CA1CA2
2-Nitrobenzaldehyde SCHEMBL29672618 0.72 ERN1 (0.66) KMT2AMEN1ERN1ALDH1A1GAA
2-Nitrobenzaldehyde SCHEMBL5654 0.72 ERN1 (0.66) KMT2AMEN1ERN1ALDH1A1GAA
SCHEMBL1199797 0.72 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL9948638 0.72 KMT2A (0.63) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL14613962 0.72 KMT2A (0.63) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL11260836 0.72 KMT2A (0.63) KMT2AMEN1ALDH1A1CA1CA2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2154123-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2013-10-23 EP disclosed
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
US-7851659-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-14 US disclosed
US-20100234645-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 US disclosed
EP-2154123-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-17 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 (2 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-20100234645-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, NQO2, NDUFC2 KMT2A 548/4885MEN1 1350/4885ACHE 1005/4885
US-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND CBR3, ACSL3, CCNL2 KMT2A 1113/4885MEN1 1561/4885ACHE 162/4885

“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.