SCHEMBL6034313

SCHEMBL6034313

COc1ccccc1-c1csc2nc(S)n(-c3cccc(F)c3)c(=O)c12

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 13/20 0.64
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GPR55 Q9Y2T6 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL6037629 0.87 TGM2 (0.61) TGM2ALDH1A1MAPT
SCHEMBL6037628 0.84 TGM2 (0.64) TGM2ALDH1A1MAPTSMN1; SMN2GPR55
SCHEMBL6037626 0.83 TGM2 (0.65) TGM2ALDH1A1GAAMAPTLMNA
SCHEMBL6033953 0.83 TGM2 (0.62) TGM2ALDH1A1GAAMAPT
SCHEMBL6034920 0.82 TGM2 (0.60) TGM2ALDH1A1GAAMAPT
SCHEMBL6034416 0.79 TGM2 (1.00) TGM2
SCHEMBL6034116 0.79 TGM2 (0.78) TGM2
SCHEMBL6033961 0.78 TGM2 (0.62) TGM2ALDH1A1GAAMAPTLMNA
SCHEMBL6033371 0.77 TGM2 (0.61) TGM2
SCHEMBL6033995 0.76 TGM2 (0.59) TGM2ALDH1A1GAAMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183759-A1 Tissue transglutaminase inhibitors BRIGHAM AND WOMEN'S HOSPITAL, INC., THE 2006-08-17 US disclosed
WO-2006060702-A1 SUBSTITUED 3,4-DIHYDROTHIENO [2,3-D] PYRMIDINES AS TISSUE TRANSGLUTAMINASE INHIBITORS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-06-08 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-20060183759-A1 Tissue transglutaminase inhibitors TGM2, HNMT, TPMT TGM2 1/4885ALDH1A1 3116/4885GAA 42/4885

“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.