SCHEMBL6037629

SCHEMBL6037629

O=c1c2c(-c3ccccc3F)csc2nc(S)n1-c1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 17/20 0.61
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
GRM1 Q13255 1/20 0.39

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
SCHEMBL6033953 0.88 TGM2 (0.62) TGM2ALDH1A1MAPTGRM1
SCHEMBL6034313 0.87 TGM2 (0.64) TGM2ALDH1A1MAPT
SCHEMBL6034920 0.87 TGM2 (0.60) TGM2ALDH1A1MAPTGRM1
SCHEMBL6037628 0.81 TGM2 (0.64) TGM2KDM4EALDH1A1MAPT
SCHEMBL6037634 0.80 TGM2 (0.63) TGM2
SCHEMBL6037636 0.80 TGM2 (0.63) TGM2KDM4EALDH1A1RAB9A
SCHEMBL6037626 0.80 TGM2 (0.65) TGM2KDM4EALDH1A1MAPTGRM1
SCHEMBL6033371 0.79 TGM2 (0.61) TGM2
SCHEMBL6034242 0.79 TGM2 (0.82) TGM2KDM4EALDH1A1MAPT
SCHEMBL6034265 0.79 ALDH1A1 (0.52) TGM2KDM4EALDH1A1MAPTRAB9A

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 1 patent. 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

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 1/4885KDM4E 1774/4885ALDH1A1 3116/4885

“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.