SCHEMBL6033985

SCHEMBL6033985

O=c1c2c(-c3ccccc3)csc2nc(O)n1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 13/20 0.59
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 2/20 0.55
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.50
TSHR P16473 1/20 0.48
PPARG P37231 1/20 0.47
OPRK1 P41145 1/20 0.47
RAB9A P51151 1/20 0.47
NCOA1 Q15788 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47

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
SCHEMBL6033952 0.84 TGM2 (0.56) TGM2ALDH1A1HSD17B10GAAMAPT
SCHEMBL6034875 0.84 TGM2 (0.56) TGM2ALDH1A1HSD17B10GAAMAPT
SCHEMBL6034224 0.76 TGM2 (0.59) TGM2ALDH1A1HSD17B10GAAMAPT
SCHEMBL6034917 0.76 TGM2 (0.59) TGM2ALDH1A1HSD17B10GAAMAPT
SCHEMBL6033995 0.76 TGM2 (0.59) TGM2ALDH1A1HSD17B10GAAMAPT
SCHEMBL6033438 0.75 TGM2 (0.67) TGM2
SCHEMBL6034359 0.75 TGM2 (1.00) TGM2
SCHEMBL6034854 0.75 TGM2 (0.75) TGM2ALDH1A1HSD17B10GAAMAPT
SCHEMBL6033358 0.75 TGM2 (0.53) TGM2ALDH1A1HSD17B10GAAMAPT
SCHEMBL6037616 0.74 TGM2 (1.00) TGM2

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 3116/4885HSD17B10 1221/4885

“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.