SCHEMBL1869837

SCHEMBL1869837

C=CC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.63
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 5/20 0.56
TSHR P16473 1/20 0.56
ABCC9 O60706 1/20 0.56
ABCC8 Q09428 1/20 0.56
KCNJ11 Q14654 1/20 0.56
KCNJ8 Q15842 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
HPGD P15428 1/20 0.55
PKM P14618 1/20 0.55
HTT P42858 3/20 0.53
POLB P06746 2/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 2/20 0.53
NAMPT P43490 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL2997523 0.83 KMT2A (0.61) MEN1KMT2AALDH1A1TSHRABCC9
SCHEMBL4176762 0.81 KMT2A (0.62) MEN1KMT2AALDH1A1TSHRABCC9
SCHEMBL396052 0.80 ALDH1A1 (0.61) TGM2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL396051 0.79 MEN1 (0.57) MEN1KMT2AALDH1A1TSHRABCC9
SCHEMBL14914572 0.79 TGM2 (0.61) TGM2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10405297 0.78 TGM2 (1.00) TGM2LMNA
SCHEMBL15203492 0.78 MEN1 (0.58) MEN1KMT2AALDH1A1TSHRABCC9
SCHEMBL31195242 0.78 PRMT1 (0.64) MEN1KMT2AALDH1A1TSHRABCC9
SCHEMBL9568839 0.78 TGM2 (0.65) TGM2MEN1KMT2AALDH1A1TSHR
SCHEMBL15203493 0.78 CA1 (0.62) MEN1KMT2AALDH1A1TSHRABCC9

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
US-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2013-05-09 US claimed
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-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-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2013-05-09 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

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-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HTT, TGM2, GRN TGM2 2/4885MEN1 2032/4885KMT2A 848/4885

“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.