SCHEMBL21702910

SCHEMBL21702910

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nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
FOLH1 Q04609 8/20 0.38
NAALAD2 Q9Y3Q0 4/20 0.38
RIMKLA Q8IXN7 1/20 0.38
MAP4K1 Q92918 2/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
TGFBR1 P36897 1/20 0.32

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
SCHEMBL21702911 0.85 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4FOLH1
SCHEMBL30467395 0.82 MAP4K1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4MAP4K1
SCHEMBL21684631 0.82 MAP4K1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4MAP4K1
SCHEMBL21684629 0.82 MAP4K1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4MAP4K1
SCHEMBL21703127 0.82 MAP4K1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4MAP4K1
SCHEMBL21684738 0.79 MAP4K1 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4MAP4K1
SCHEMBL21684740 0.79 MAP4K1 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4MAP4K1
SCHEMBL21685372 0.78 MAP4K1 (0.44) MAP4K1MEN1KMT2A
SCHEMBL21685369 0.78 MAP4K1 (0.44) MAP4K1MEN1KMT2A
SCHEMBL21684926 0.77 MAP4K1 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4MAP4K1

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
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2023-01-10 US disclosed
US-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. 2021-06-03 US disclosed
WO-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 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 (2 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-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 CHRNB2 3519/4885CHRNB4 4346/4885CHRNA3 4634/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 CHRNB2 3519/4885CHRNB4 4346/4885CHRNA3 4634/4885

“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.