SCHEMBL1872113

SCHEMBL1872113

Nc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 14/20 0.67
TGM1 P22735 12/20 0.67
F13A1 P00488 11/20 0.67
TGM3 Q08188 1/20 0.59
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.54
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 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
SCHEMBL10064223 0.91 TGM2 (0.70) TGM2TGM1F13A1TGM3MEN1
SCHEMBL3971768 0.88 TGM2 (0.69) TGM2TGM1F13A1TGM3MEN1
SCHEMBL5253097 0.88 POLB (0.71) TGM2TGM1F13A1TGM3MEN1
SCHEMBL4235140 0.88 TGM2 (0.67) TGM2TGM1F13A1TGM3KMT2A
SCHEMBL17277447 0.88 TGM2 (0.69) TGM2TGM1F13A1TGM3MEN1
SCHEMBL26104923 0.88 TGM2 (0.67) TGM2TGM1F13A1TGM3MEN1
SCHEMBL12061638 0.85 TGM2 (0.63) TGM2TGM1F13A1TGM3MEN1
SCHEMBL1871457 0.85 ALDH1A1 (0.70) TGM2TGM1F13A1TGM3KMT2A
SCHEMBL932229 0.83 TGM2 (0.63) TGM2TGM1F13A1TGM3MEN1
SCHEMBL25381627 0.83 TGM2 (0.76) TGM2TGM1F13A1TGM3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695237-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2026-02-18 EP disclosed
EP-4486453-A1 BENZAMIDE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2025-01-08 EP disclosed
CN-118843616-A Benzamide compounds for the treatment of bacterial infections 豪夫迈·罗氏有限公司 2024-10-25 CN disclosed
WO-2024213625-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2024-10-17 WO disclosed
WO-2023166103-A1 BENZAMIDE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 WO 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-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

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 2/4885TGM1 9/4885F13A1 1540/4885

“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.