SCHEMBL21110496

SCHEMBL21110496

C#C/C=C(\C=C/CO)C[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.51
▸ FOLH1 Q04609 9/20 0.51
▸ CAPN1 P07384 2/20 0.45
▸ PLG P00747 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ TPSAB1 Q15661 1/20 0.43
▸ CNR1 P21554 2/20 0.42
▸ CASP3 P42574 2/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP2 P42575 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ CASP8 Q14790 1/20 0.42
▸ CNR2 P34972 1/20 0.40

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
SCHEMBL27233233 0.85 TDP1 (0.69) TDP1FOLH1CAPN1CNR1
SCHEMBL27233227 0.85 TDP1 (0.69) TDP1FOLH1CAPN1CNR1
SCHEMBL29928558 0.80 TDP1 (0.75) TDP1FOLH1CAPN1
SCHEMBL9807479 0.77 TDP1 (0.77) TDP1FOLH1CAPN1CNR1
SCHEMBL18025616 0.76 FOLH1 (0.52) TDP1FOLH1CAPN1PLGPRSS1
SCHEMBL12809811 0.76 TDP1 (0.73) TDP1FOLH1CAPN1CNR1
SCHEMBL10044328 0.75 TDP1 (0.72) TDP1FOLH1CAPN1PLGPRSS1
SCHEMBL29744917 0.73 TDP1 (0.62) TDP1FOLH1CAPN1CNR1
SCHEMBL29869498 0.73 FOLH1 (0.57) TDP1FOLH1CAPN1PLGPRSS1
SCHEMBL10308270 0.72 TDP1 (0.74) TDP1FOLH1CAPN1PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11130818-B2 Transglutamine tag for efficient site-specific bioconjugation MERCK PATENT GMBH (DE) 2021-09-28 — — US disclosed
US-20190194344-A1 A TRANSGLUTAMINE TAG FOR EFFICIENT SITE-SPECIFIC BIOCONJUGATION MERCK PATENT GMBH (DE) 2019-06-27 — — 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 (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-11130818-B2 Transglutamine tag for efficient site-specific bioconjugation TGM2, FOLH1, BPGM TDP1 2013/4885FOLH1 2/4885CAPN1 4712/4885
US-20190194344-A1 A TRANSGLUTAMINE TAG FOR EFFICIENT SITE-SPECIFIC BIOCONJUGATION TGM2, BPGM, FOLH1 TDP1 2029/4885FOLH1 3/4885CAPN1 4602/4885

“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.

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