SCHEMBL3548115

SCHEMBL3548115

[CH2]S(=O)(=O)N1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.37
ALDH1A1 P00352 3/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
NFKB1 P19838 2/20 0.35
THPO P40225 1/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 3/20 0.34
BLM P54132 1/20 0.34
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
TGM1 P22735 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL7423339 0.77 KDM4E (0.80) KDM4EMAPTUSP2ALDH1A1PKM
SCHEMBL22339125 0.74 KDM4E (0.54) KDM4EMAPTUSP2ALDH1A1PKM
SCHEMBL14991003 0.74 KDM4E (0.54) KDM4EMAPTUSP2ALDH1A1PKM
SCHEMBL243962 0.74 KDM4E (0.54) KDM4EMAPTUSP2ALDH1A1PKM
SCHEMBL243961 0.74 KDM4E (0.54) KDM4EMAPTUSP2ALDH1A1PKM
SCHEMBL8228389 0.74 KDM4E (0.48) KDM4EMAPTUSP2ALDH1A1PKM
SCHEMBL994469 0.73
SCHEMBL28349461 0.72 KDM4E (0.52) KDM4EMAPTUSP2ALDH1A1PKM
SCHEMBL477197 0.72 KDM4E (0.52) KDM4EMAPTUSP2ALDH1A1PKM
Hydrochloric Acid SCHEMBL2592331 0.72 KDM4E (0.52) KDM4EMAPTUSP2ALDH1A1PKM

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8847003-B2 Role of proteoglycans in drug dependence SANNA PIETRO P (US) 2014-09-30 US disclosed
US-20140173764-A9 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE SANNA PIETRO P (US) 2014-06-19 US disclosed
US-8450373-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2013-05-28 US disclosed
EP-1799667-B1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2013-03-20 EP disclosed
US-20120190714-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS APPLERA CORPORATION (US) 2012-07-26 US disclosed
US-20120174240-A1 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE SANNA PIETRO P (US) 2012-07-05 US disclosed
US-20100305331-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2010-12-02 US disclosed
US-7696250-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-04-13 US disclosed
US-20090170909-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2009-07-02 US disclosed
US-7488848-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-02-10 US disclosed
US-20040110805-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2004-06-10 US disclosed
WO-2004048368-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2004-06-10 WO disclosed
WO-2004043943-A1 AROMATIC SULFONE HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2004-05-27 WO disclosed
US-6689794-B2 SUPPRESSING MATRIX METALLOPROTEINASE AND/OR AGGRECANASE ACTIVITY PHARMACIA CORPORATION 2004-02-10 US disclosed
US-20040024024-A1 Aromatic sulfone hydroxamates and their use as protease inhibitors PHARMACIA CORPORATION 2004-02-05 US disclosed
EP-1385836-A2 AROMATIC SULFONE HYDROXAMATES AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2004-02-04 EP disclosed
US-20040010019-A1 Aromatic sulfone hydroxamates and their use as protease inhibitors PHARMACIA CORPORATION 2004-01-15 US disclosed
WO-2004000811-A1 ARYLSULFONYLHYDROXAMIC ACID AND AMIDE DERIVATIVES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-12-31 WO disclosed
WO-2003091247-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-11-06 WO disclosed
WO-2002092588-A2 AROMATIC SULFONE HYDROXAMATES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2002-11-21 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 (8 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-20120190714-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB KDM4E 994/4885MAPT 1614/4885USP2 444/4885
US-20040110805-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors MMP1, MMP7, MMP3 KDM4E 853/4885MAPT 1453/4885USP2 1096/4885
US-20140173764-A9 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE OGFR, CSGALNACT1, OPRL1 KDM4E 3408/4885MAPT 2656/4885USP2 1835/4885
US-20090170909-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB KDM4E 994/4885MAPT 1614/4885USP2 444/4885
US-20120174240-A1 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE OGFR, CSGALNACT1, OPRL1 KDM4E 3408/4885MAPT 2656/4885USP2 1835/4885
US-20100305331-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB KDM4E 994/4885MAPT 1614/4885USP2 444/4885
US-20040010019-A1 Aromatic sulfone hydroxamates and their use as protease inhibitors MMP1, MMP3, MMP7 KDM4E 784/4885MAPT 1413/4885USP2 1084/4885
US-20040024024-A1 Aromatic sulfone hydroxamates and their use as protease inhibitors MMP1, MMP3, MMP7 KDM4E 784/4885MAPT 1413/4885USP2 1084/4885

“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.