SCHEMBL6033409

SCHEMBL6033409

CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(F)c1)CCNC3

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.75
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
MAPT P10636 3/20 0.58
THRB P10828 2/20 0.55
ALDH1A1 P00352 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
RECQL P46063 1/20 0.54
KDM4E B2RXH2 2/20 0.51
GLA P06280 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GAA P10253 1/20 0.48

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
SCHEMBL6037643 0.89 TGM2 (0.74) TGM2MEN1KMT2AMAPTTHRB
SCHEMBL6033436 0.86 KMT2A (0.77) TGM2MEN1KMT2AMAPTALDH1A1
SCHEMBL6033401 0.86 TGM2 (1.00) TGM2
SCHEMBL6033396 0.84 TGM2 (0.79) TGM2MEN1KMT2AMAPTTHRB
SCHEMBL6034026 0.82 TGM2 (0.80) TGM2MEN1KMT2AMAPTTHRB
SCHEMBL6037622 0.81 TGM2 (0.77) TGM2MEN1KMT2AMAPTTHRB
SCHEMBL6033400 0.80 TGM2 (0.69) TGM2MEN1KMT2AMAPTALDH1A1
SCHEMBL6033399 0.79 TGM2 (0.77) TGM2MEN1KMT2AMAPTTHRB
SCHEMBL6037621 0.78 TGM2 (0.77) TGM2MEN1KMT2AMAPTTHRB
SCHEMBL6034349 0.77 TGM2 (0.77) TGM2MEN1KMT2AMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153698-B2 Field-deployable cartridge method and test kit for arsenic BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2006-12-26 US disclosed
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
US-20040101971-A1 Field-deployable cartridge method and test kit for arsenic BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2004-05-27 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 1/4885MEN1 2068/4885KMT2A 1045/4885

“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.