SCHEMBL2822371

SCHEMBL2822371

O=S(=O)(Nc1ccc(CO)cc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
PKM P14618 2/20 0.67
ALDH1A1 P00352 1/20 0.67
HTR6 P50406 1/20 0.66
KEAP1 Q14145 2/20 0.66
IL1RN P18510 1/20 0.66
ERAP1 Q9NZ08 1/20 0.66
HDAC1 Q13547 5/20 0.65
HDAC8 Q9BY41 3/20 0.65
HDAC4 P56524 1/20 0.61
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
AR P10275 1/20 0.58
HPGD P15428 2/20 0.57
MAPT P10636 1/20 0.57
PGR P06401 1/20 0.57
NR1I2 O75469 1/20 0.57

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
SCHEMBL10453153 0.93 KMT2A (0.67) MEN1KMT2APKMALDH1A1HTR6
SCHEMBL5048585 0.90 UQCRB (0.69) MEN1KMT2APKMALDH1A1HTR6
SCHEMBL8867856 0.86 HTR6 (0.71) MEN1KMT2APKMALDH1A1HTR6
SCHEMBL810795 0.84 KMT2A (0.91) MEN1KMT2APKMALDH1A1HTR6
SCHEMBL5205017 0.83 HDAC1 (0.75) MEN1KMT2APKMALDH1A1HTR6
SCHEMBL6980613 0.83 FFAR1 (0.64) MEN1KMT2APKMALDH1A1HDAC1
SCHEMBL2888726 0.83 NPSR1 (0.64) PKMHDAC1HDAC8CA1CA2
SCHEMBL13185624 0.82 UCHL1 (0.75) MEN1KMT2APKMALDH1A1HTR6
SCHEMBL7612902 0.82 HTR6 (0.76) MEN1KMT2APKMALDH1A1HTR6
Phenyl(Phenylsulfonyl)Amine SCHEMBL27625489 0.81 KEAP1 (0.77) MEN1KMT2APKMALDH1A1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842809-B2 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same BAYER SCHERING PHARMA AG (DE) 2010-11-30 US disclosed
US-7842809-B2 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same BAYER SCHERING PHARMA AG (DE) 2010-11-30 US disclosed
US-7842809-B2 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same BAYER SCHERING PHARMA AG (DE) 2010-11-30 US disclosed
WO-2008074132-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-26 WO disclosed
EP-1841767-A1 PYRAZOLOPYRIDINES, THEIR PREPARATION AND THEIR MEDICAL USE Bayer Schering Pharma AG (DE) 2007-10-10 EP disclosed
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 US disclosed
US-20060252754-A1 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-11-09 US disclosed
WO-2006077168-A1 PYRAZOLOPYRIDINES, THEIR PREPARATION AND THEIR MEDICAL USE BAYER SCHERING PHARMA AG. (DE) 2006-07-27 WO disclosed
EP-1683796-A1 Pyrazolopyridines, their preparation and their medical use Schering Aktiengesellschaft (DE) 2006-07-26 EP disclosed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 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-20060252754-A1 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same TEK, TIE1, KDR MEN1 357/4885KMT2A 1739/4885PKM 186/4885

“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.