SCHEMBL6037624

SCHEMBL6037624

O=c1c2c3c(sc2nc(S)n1-c1cccc(F)c1)CCCC3

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.61
MAPT P10636 4/20 0.53
GAA P10253 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 2/20 0.49
RECQL P46063 1/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45

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
SCHEMBL6035005 0.82 TGM2 (0.65) TGM2MAPTKDM4EALDH1A1MEN1
SCHEMBL6034166 0.80 TGM2 (0.66) TGM2MAPTGAAKDM4EALDH1A1
SCHEMBL6034015 0.77 TGM2 (0.70) TGM2
SCHEMBL13407759 0.77 ALDH1A1 (0.78) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL6037625 0.77 TGM2 (1.00) TGM2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6037643 0.76 TGM2 (0.74) TGM2MAPTKDM4EALDH1A1MEN1
SCHEMBL4153731 0.74 MAPT (0.52) TGM2MAPTGAAKDM4EALDH1A1
SCHEMBL4134647 0.74 MAPT (0.52) TGM2MAPTGAAKDM4EALDH1A1
SCHEMBL4147430 0.74 MAPT (0.51) TGM2MAPTGAAKDM4EALDH1A1
SCHEMBL4139711 0.74 MAPT (0.51) TGM2MAPTGAAKDM4EALDH1A1

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 1/4885MAPT 40/4885GAA 42/4885

“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.