SCHEMBL6037622

SCHEMBL6037622

CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(F)c1)C(C)CCC3

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 9/20 0.77
MAPT P10636 2/20 0.55
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
THRB P10828 2/20 0.51
ALDH1A1 P00352 1/20 0.51
RECQL P46063 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL6033399 0.90 TGM2 (0.77) TGM2MAPTMEN1KMT2ATHRB
SCHEMBL6037621 0.89 TGM2 (0.77) TGM2MAPTMEN1KMT2ATHRB
SCHEMBL6034997 0.87 TGM2 (1.00) TGM2
SCHEMBL6037643 0.87 TGM2 (0.74) TGM2MAPTMEN1KMT2ATHRB
SCHEMBL6033436 0.81 KMT2A (0.77) TGM2MAPTMEN1KMT2AALDH1A1
SCHEMBL6033409 0.81 TGM2 (0.75) TGM2MAPTMEN1KMT2ATHRB
SCHEMBL6033396 0.79 TGM2 (0.79) TGM2MAPTMEN1KMT2ATHRB
SCHEMBL6035005 0.79 TGM2 (0.65) TGM2MAPTMEN1KMT2AALDH1A1
SCHEMBL6034026 0.77 TGM2 (0.80) TGM2MAPTMEN1KMT2ATHRB
SCHEMBL6034349 0.77 TGM2 (0.77) TGM2MAPTMEN1KMT2ATHRB

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 40/4885MEN1 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.