SCHEMBL78149

SCHEMBL78149

Nc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.70
ALDH1A1 P00352 1/20 0.66
MAPK1 P28482 1/20 0.66
KMT2A Q03164 2/20 0.64
EPHX2 P34913 1/20 0.58
SIGMAR1 Q99720 6/20 0.56
POLB P06746 1/20 0.55
NEK1 Q96PY6 1/20 0.55

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
SCHEMBL9885409 0.92 KMT2A (0.76) PKMALDH1A1MAPK1KMT2APOLB
SCHEMBL3331192 0.89 PKM (0.70) PKMALDH1A1MAPK1KMT2AEPHX2
SCHEMBL5438202 0.87 SIGMAR1 (0.73) PKMMAPK1KMT2ASIGMAR1
SCHEMBL20946428 0.86 PKM (0.67) PKMALDH1A1MAPK1KMT2AEPHX2
SCHEMBL1410741 0.86 SIGMAR1 (0.76) PKMALDH1A1MAPK1KMT2AEPHX2
SCHEMBL19563407 0.86 SIGMAR1 (0.76) PKMALDH1A1MAPK1KMT2AEPHX2
SCHEMBL31356929 0.86 ALDH1A1 (0.74) PKMALDH1A1MAPK1KMT2AEPHX2
SCHEMBL12302133 0.86 ALDH1A1 (0.74) PKMALDH1A1MAPK1KMT2AEPHX2
SCHEMBL3719058 0.85 PKM (0.69) PKMALDH1A1MAPK1KMT2AEPHX2
SCHEMBL4769081 0.85 SIGMAR1 (0.74) PKMMAPK1KMT2ASIGMAR1NEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946197-B2 Transglutaminase TG2 inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2015-02-03 US disclosed
US-8946197-B2 Transglutaminase TG2 inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2015-02-03 US disclosed
US-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2013-05-09 US disclosed
US-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2013-05-09 US disclosed
US-8129396-B2 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2012-03-06 US disclosed
WO-2011060321-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2011-05-19 WO disclosed
WO-2011060321-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2011-05-19 WO disclosed
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. 2010-04-01 US disclosed
US-7659284-B2 Inhibitors of ATP-protein kinase; 7-(3-chloro-4-fluoro-phenylamino)-2-(4-pyrrolidin-1-ylmethyl-phenylamino)-thiazolo[4,5-b]pyridine-6-carbonitrile JANSSEN PHARMACEUTICA NV (BE) 2010-02-09 US disclosed
US-7659284-B2 Inhibitors of ATP-protein kinase; 7-(3-chloro-4-fluoro-phenylamino)-2-(4-pyrrolidin-1-ylmethyl-phenylamino)-thiazolo[4,5-b]pyridine-6-carbonitrile JANSSEN PHARMACEUTICA NV (BE) 2010-02-09 US disclosed
US-20080207621-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-28 US disclosed
US-20080207621-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-28 US disclosed
WO-2008040000-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-04-03 WO disclosed
EP-1789055-A2 THIAZOLOPYRIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-30 EP disclosed
WO-2006031929-A2 THIAZOLOPYRIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-23 WO disclosed
US-20060058341-A1 Thiazolopyridine kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-16 US 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 (4 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-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors MAP3K2, MAP4K2, MAP3K12 PKM 556/4885ALDH1A1 1651/4885MAPK1 243/4885
US-20080207621-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 PKM 2774/4885ALDH1A1 569/4885MAPK1 2649/4885
US-20060058341-A1 Thiazolopyridine kinase inhibitors PRKACA, PRKCE, MAP3K9 PKM 473/4885ALDH1A1 2374/4885MAPK1 168/4885
US-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HTT, TGM2, GRN PKM 1716/4885ALDH1A1 3161/4885MAPK1 4293/4885

“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.