SCHEMBL17373358

SCHEMBL17373358

CC(O)[C@H](NC(=O)C(C)(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.39
CA1 P00915 3/20 0.39
MME P08473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CNR2 P34972 1/20 0.31

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
SCHEMBL28433567 1.00 CA2 (0.39) CA2CA1MMEALDH1A1TP53
SCHEMBL17373361 1.00 CA2 (0.39) CA2CA1MMEALDH1A1TP53
SCHEMBL9341542 0.84 ALDH1A1 (0.43) CA2CA1MMEALDH1A1TP53
SCHEMBL9805189 0.84 ALDH1A1 (0.43) CA2CA1MMEALDH1A1TP53
SCHEMBL29538486 0.83 CA2 (0.41) CA2CA1MMEALDH1A1TP53
SCHEMBL684795 0.83 L3MBTL1 (0.35) ALDH1A1POLBMAPK1NPSR1L3MBTL1
SCHEMBL684475 0.83 L3MBTL1 (0.35) ALDH1A1POLBMAPK1NPSR1L3MBTL1
SCHEMBL17432119 0.83 GAA (0.33) ALDH1A1POLBMAPK1NPSR1L3MBTL1
SCHEMBL18329323 0.82 TSHR (0.35) CA2CA1MMETSHR
SCHEMBL31683771 0.81 CA2 (0.38) CA2CA1MMEALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3157909-B1 LMP7 INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2021-04-07 EP disclosed
US-10654843-B2 LMP7 inhibitors PRINCIPIA BIOPHARMA INC. (US) 2020-05-19 US disclosed
US-20180208589-A1 LMP7 INHIBITORS PRINCIPIA BIOPHARMA INC. 2018-07-26 US disclosed
EP-3157909-A1 LMP7 INHIBITORS Principia Biopharma Inc. (US) 2017-04-26 EP disclosed
WO-2015195950-A1 LMP7 INHIBITORS PRINCIPIA BIOPHAMRAM INC. (US) 2015-12-23 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-20180208589-A1 LMP7 INHIBITORS PSMA7, PSMB7, PSMD7 CA2 4104/4885CA1 2983/4885MME 428/4885
US-10654843-B2 LMP7 inhibitors PSMA7, PSMB7, PSMD7 CA2 4104/4885CA1 2983/4885MME 428/4885

“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.