SCHEMBL6037643

SCHEMBL6037643

CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(F)c1)CCCC3

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 6/20 0.74
KMT2A Q03164 7/20 0.68
MEN1 O00255 6/20 0.68
ALDH1A1 P00352 2/20 0.68
NPSR1 Q6W5P4 2/20 0.66
RECQL P46063 1/20 0.66
THRB P10828 2/20 0.64
MAPT P10636 2/20 0.61
KDM4E B2RXH2 2/20 0.60
TP53 P04637 1/20 0.60
HTT P42858 1/20 0.56

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
SCHEMBL6033409 0.89 TGM2 (0.75) TGM2KMT2AMEN1ALDH1A1NPSR1
SCHEMBL6033436 0.89 KMT2A (0.77) TGM2KMT2AMEN1ALDH1A1NPSR1
SCHEMBL6033396 0.87 TGM2 (0.79) TGM2KMT2AMEN1ALDH1A1NPSR1
SCHEMBL6037622 0.87 TGM2 (0.77) TGM2KMT2AMEN1ALDH1A1NPSR1
SCHEMBL6037625 0.85 TGM2 (1.00) TGM2KMT2AMEN1ALDH1A1NPSR1
SCHEMBL6034026 0.84 TGM2 (0.80) TGM2KMT2AMEN1ALDH1A1NPSR1
SCHEMBL6033399 0.84 TGM2 (0.77) TGM2KMT2AMEN1ALDH1A1NPSR1
SCHEMBL6037621 0.84 TGM2 (0.77) TGM2KMT2AMEN1ALDH1A1NPSR1
SCHEMBL6034349 0.80 TGM2 (0.77) TGM2KMT2AMEN1ALDH1A1THRB
SCHEMBL6037618 0.78 TGM2 (0.75) TGM2KMT2AMEN1THRBMAPT

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 1/4885KMT2A 1045/4885MEN1 2068/4885

“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.