SCHEMBL20033588

SCHEMBL20033588

C[C@@H](N)CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
DPP4 P27487 2/20 0.33
CA7 P43166 1/20 0.33
AAK1 Q2M2I8 2/20 0.32
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
CA14 Q9ULX7 2/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNA1C Q13936 1/20 0.31
CA12 O43570 1/20 0.31
CTSK P43235 1/20 0.31
AURKA O14965 1/20 0.30
RPS6KB1 P23443 1/20 0.30

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
SCHEMBL1456149 1.00 HDAC6 (0.38) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL13490197 0.84 HDAC6 (0.36) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL15597130 0.84 CYP2D6 (0.33) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL8280474 0.83 DPP4 (0.35) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL23134818 0.82 MAPK1 (0.35) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL20215933 0.82 MAPK1 (0.35) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL6687835 0.82 HDAC6 (0.39) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL2917271 0.81 HDAC6 (0.39) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL14000449 0.81 HDAC6 (0.36) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL24573971 0.81 HDAC6 (0.36) HDAC6HDAC1HDAC2CA1CA2

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
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 US disclosed
EP-3912981-A1 MK2 INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2021-11-24 EP disclosed
EP-3193611-B1 MK2 INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2021-03-24 EP disclosed
US-20210040127-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-02-11 US disclosed
US-9938281-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2018-04-10 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-20210040127-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, PRMT1 HDAC6 753/4885HDAC1 152/4885HDAC2 270/4885
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER HDAC6 1130/4885HDAC1 2351/4885HDAC2 1834/4885

“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.