SCHEMBL18103803

SCHEMBL18103803

CC[C@H](C)C(NC(=O)CCCCCNC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N1c2ncccc2C[C@H]1C(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)CCl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ REN P00797 3/20 0.36
▸ CTSD P07339 1/20 0.35
▸ KLK7 P49862 2/20 0.35
▸ KLK5 Q9Y337 2/20 0.35
▸ CXCR3 P49682 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TLR2 O60603 1/20 0.34
▸ TLR1 Q15399 1/20 0.34
▸ PSMB1 P20618 2/20 0.34
▸ PSMB5 P28074 2/20 0.34
▸ PSMB2 P49721 2/20 0.34

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
SCHEMBL18103825 0.89 MEN1 (0.39) ITGB3ITGA2BHDAC8HDAC1REN
SCHEMBL18103789 0.89 MEN1 (0.39) ITGB3ITGA2BHDAC8HDAC1REN
Hydrochloric Acid SCHEMBL18103782 0.84 GZMB (0.36) F2REN
Hydrochloric Acid SCHEMBL18103778 0.84 GZMB (0.36) F2REN
SCHEMBL18103807 0.80 ACE (0.42) RENCTSDKLK7KLK5KMT2A
SCHEMBL18103810 0.80 ACE (0.42) RENCTSDKLK7KLK5KMT2A
SCHEMBL19180869 0.76 GZMB (0.40) RENCXCR3KMT2A
SCHEMBL19182515 0.76 GZMB (0.40) RENCXCR3KMT2A
SCHEMBL19182556 0.75 GZMB (0.37) HDAC8RENMEN1KMT2A
SCHEMBL19182557 0.75 GZMB (0.37) HDAC8RENMEN1KMT2A

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 ITGB3 514/4885ITGA2B 255/4885HDAC8 1424/4885

“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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