SCHEMBL6034265

SCHEMBL6034265

O=c1c2c(-c3ccccc3)csc2nc(S)n1-c1cc(F)cc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 2/20 0.52
TGM2 P21980 12/20 0.52
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.43
BLM P54132 1/20 0.43
MCL1 Q07820 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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 0.91 TGM2 (0.62) ALDH1A1HSD17B10TGM2MAPTGAA
SCHEMBL6034224 0.89 TGM2 (0.59) ALDH1A1HSD17B10TGM2MAPTGAA
SCHEMBL6034875 0.88 TGM2 (0.56) ALDH1A1HSD17B10TGM2MAPTGAA
SCHEMBL6033995 0.87 TGM2 (0.59) ALDH1A1HSD17B10TGM2MAPTGAA
SCHEMBL6034920 0.85 TGM2 (0.60) ALDH1A1HSD17B10TGM2MAPTGAA
SCHEMBL6034127 0.83 TGM2 (0.58) ALDH1A1HSD17B10TGM2MAPTGAA
SCHEMBL6034191 0.83 TGM2 (0.49) ALDH1A1HSD17B10TGM2MAPTGAA
SCHEMBL6034953 0.83 TGM2 (0.52) ALDH1A1HSD17B10TGM2GAAHTT
SCHEMBL6034131 0.83 TGM2 (0.60) ALDH1A1HSD17B10TGM2MAPTGAA
SCHEMBL6034377 0.82 TGM2 (0.50) ALDH1A1HSD17B10TGM2MAPTGAA

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 ALDH1A1 3116/4885HSD17B10 1221/4885TGM2 1/4885

“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.