SCHEMBL18116208

SCHEMBL18116208

CC[C@H](C)[C@H](NC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N[C@@H](CCC(=O)O)C(=O)N1c2ncccc2C[C@H]1C(=O)NC(CC(=O)O)C(=O)CCl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ CASP2 P42575 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ CASP8 Q14790 1/20 0.48
▸ MAFG O15525 1/20 0.45
▸ FOLH1 Q04609 7/20 0.43
▸ CAPN1 P07384 2/20 0.42
▸ CNR1 P21554 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PSEN1 P49768 2/20 0.39
▸ PSEN2 P49810 2/20 0.39
▸ APH1B Q8WW43 2/20 0.39
▸ NCSTN Q92542 2/20 0.39
▸ APH1A Q96BI3 2/20 0.39
▸ PSENEN Q9NZ42 2/20 0.39
▸ XIAP P98170 1/20 0.39
▸ BIRC3 Q13489 1/20 0.39
▸ PLG P00747 1/20 0.38
▸ PRSS1 P07477 1/20 0.38

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
SCHEMBL18103817 1.00 CASP3 (0.48) CASP3CASP1CASP2CASP7CASP8
Hydrochloric Acid SCHEMBL18103782 0.84 GZMB (0.36) —
SCHEMBL9925691 0.75 PLG (0.62) CASP3CASP1CASP2CASP7CASP8
SCHEMBL6534725 0.70 CASP3 (0.55) CASP3CASP1CASP2CASP7CASP8
SCHEMBL19181349 0.69 GZMB (0.46) —
SCHEMBL7113668 0.68 FOLH1 (0.50) CASP3CASP1CASP2CASP7CASP8
SCHEMBL19181282 0.68 GZMB (0.46) —
SCHEMBL8219653 0.68 CASP3 (0.53) CASP3CASP1CASP2CASP7CASP8
SCHEMBL5406043 0.67 TDP1 (0.56) CASP3CASP1CASP2CASP7CASP8
SCHEMBL18103789 0.67 MEN1 (0.39) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969772-B2 Covalent granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2018-05-15 — — US disclosed
US-20170015707-A1 COVALENT GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2017-01-19 — — US disclosed
US-9458192-B1 Covalent granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2016-10-04 — — 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-20170015707-A1 COVALENT GRANZYME B INHIBITORS GZMB, CTSB, DNASE1L3 CASP3 82/4885CASP1 127/4885CASP2 126/4885

“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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