SCHEMBL1199964

SCHEMBL1199964

CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 1.00
ALDH1A1 P00352 4/20 0.79
POLB P06746 2/20 0.79
KMT2A Q03164 2/20 0.79
MAPT P10636 1/20 0.79
TP53 P04637 1/20 0.63
HTT P42858 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
CA1 P00915 5/20 0.57
CA2 P00918 5/20 0.57
CA12 O43570 4/20 0.57
CA9 Q16790 4/20 0.57
MEN1 O00255 1/20 0.56
MMP1 P03956 1/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
MMP13 P45452 1/20 0.56
PKM P14618 3/20 0.54
CYP2C19 P33261 1/20 0.53

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
SCHEMBL948303 0.88 KDM4E (0.78) KDM4EALDH1A1POLBKMT2AMAPT
SCHEMBL10752864 0.88 ALDH1A1 (1.00) KDM4EALDH1A1POLBKMT2AMAPT
SCHEMBL7862156 0.84 KMT2A (0.74) KDM4EALDH1A1POLBKMT2AMAPT
SCHEMBL5711952 0.83 ALDH1A1 (0.73) KDM4EALDH1A1POLBKMT2AMAPT
SCHEMBL12891196 0.83 KDM4E (0.71) KDM4EALDH1A1POLBKMT2AMAPT
SCHEMBL14412438 0.82 POLB (0.72) KDM4EALDH1A1POLBKMT2AMAPT
SCHEMBL7867105 0.81 KDM4E (0.68) KDM4EALDH1A1POLBKMT2AMAPT
SCHEMBL8684509 0.81 ALDH1A1 (0.71) KDM4EALDH1A1POLBKMT2AMAPT
SCHEMBL11883912 0.80 POLB (0.69) KDM4EALDH1A1POLBKMT2AMAPT
SCHEMBL7870173 0.80 ALDH1A1 (0.68) KDM4EALDH1A1POLBKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888351-B2 Organic compounds NOVARTIS AG (CH) 2011-02-15 US disclosed
US-20110034462-A1 ORGANIC COMPOUNDS BAESCHLIN DANIEL KASPAR 2011-02-10 US disclosed
US-20090281069-A1 ORGANIC COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-11-12 US disclosed
CN-101472892-A Organic compounds NOVARTIS AG (CH) 2009-07-01 CN disclosed
EP-2007723-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-31 EP disclosed
WO-2007115821-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 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 (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-20090281069-A1 ORGANIC COMPOUNDS OTC, OAT, SLCO2B1 KDM4E 3571/4885ALDH1A1 72/4885POLB 933/4885
US-20110034462-A1 ORGANIC COMPOUNDS OTC, OAT, SLCO2B1 KDM4E 3571/4885ALDH1A1 72/4885POLB 933/4885

“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.