SCHEMBL2210194

SCHEMBL2210194

COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(NC(=O)CN3CCN(C)CC3)c2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
ALDH1A1 P00352 8/20 0.52
USP2 O75604 2/20 0.50
HTT P42858 2/20 0.50
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
TSHR P16473 2/20 0.49
CYP2C19 P33261 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC3 O15379 1/20 0.47
PLK1 P53350 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL2210208 1.00 KMT2A (0.52) KMT2AMEN1ALDH1A1USP2HTT
SCHEMBL4201337 0.85 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1USP2HTT
SCHEMBL4201338 0.85 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1USP2HTT
SCHEMBL1635529 0.85 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1USP2TSHR
SCHEMBL1635527 0.85 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1USP2TSHR
SCHEMBL1123075 0.84 PLK1 (0.68) KMT2AMEN1ALDH1A1HDAC3PLK1
SCHEMBL1123076 0.84 PLK1 (0.68) KMT2AMEN1ALDH1A1HDAC3PLK1
SCHEMBL2211511 0.83 PLK1 (0.53) KMT2AMEN1ALDH1A1HDAC3PLK1
SCHEMBL2211481 0.83 PLK1 (0.53) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL2211496 0.83 PLK1 (0.53) KMT2AMEN1ALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534284-B1 AMINO-SUBSTITUTED SULFONANILIDES AND DERIVATIVES THEREOF FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2011-07-27 EP claimed
US-7161031-B2 Amino-substituted sulfonanilides and derivatives thereof for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-01-09 US claimed
US-20050096484-A1 Amino-substituted sulfonanilides and derivatives thereof for treating proliferative disorders ONCONOVA THERAPEUTICS, INC. 2005-05-05 US claimed
EP-1534284-B1 AMINO-SUBSTITUTED SULFONANILIDES AND DERIVATIVES THEREOF FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2011-07-27 EP disclosed
US-7161031-B2 Amino-substituted sulfonanilides and derivatives thereof for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-01-09 US disclosed
EP-1534284-A4 AMINO-SUBSTITUTED SULFONANILIDES AND DERIVATIVES THEREOF FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2006-08-16 EP disclosed
EP-1534284-A2 AMINO-SUBSTITUTED SULFONANILIDES AND DERIVATIVES THEREOF FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2005-06-01 EP disclosed
US-20050096484-A1 Amino-substituted sulfonanilides and derivatives thereof for treating proliferative disorders ONCONOVA THERAPEUTICS, INC. 2005-05-05 US disclosed
WO-2003072063-A2 AMINO-SUBSTITUTED SULFONANILIDES AND DERIVATIVES THEREOF FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2003-09-04 WO 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-20050096484-A1 Amino-substituted sulfonanilides and derivatives thereof for treating proliferative disorders ARSA, MKI67, CCNA1 KMT2A 913/4885MEN1 1780/4885ALDH1A1 1651/4885

“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.