SCHEMBL18103789

SCHEMBL18103789

CC[C@H](C)[C@H](NC(=O)CCCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N1c2ncccc2CC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ACE P12821 2/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ TLR2 O60603 1/20 0.39
▸ TLR1 Q15399 1/20 0.39
▸ KLK7 P49862 1/20 0.38
▸ KLK5 Q9Y337 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ REN P00797 3/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37

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 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1HPGDACE
SCHEMBL18103810 0.91 ACE (0.42) KMT2AACEKLK7KLK5REN
SCHEMBL18103807 0.91 ACE (0.42) KMT2AACEKLK7KLK5REN
SCHEMBL18103803 0.89 ITGB3 (0.39) MEN1KMT2AITGB3ITGA2BTLR2
SCHEMBL19181342 0.83 ACE (0.42) MEN1KMT2AALDH1A1HPGDACE
SCHEMBL19181343 0.83 ACE (0.42) MEN1KMT2AALDH1A1HPGDACE
SCHEMBL19182039 0.83 ACE (0.42) MEN1KMT2AALDH1A1HPGDACE
SCHEMBL18103844 0.83 ACE (0.46) ACEITGB3ITGA2BKLK7KLK5
SCHEMBL19180861 0.83 ACE (0.46) ACEITGB3ITGA2BKLK7KLK5
SCHEMBL18103842 0.83 ACE (0.46) ACEITGB3ITGA2BKLK7KLK5

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 MEN1 2527/4885KMT2A 3326/4885ALDH1A1 4621/4885

“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.

Send feedback