SCHEMBL21595352

SCHEMBL21595352

C=CCC1C(=O)CC2(C)CN(S(=O)(=O)c3ccc(C)cc3)CC12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 4/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.36
CD4 P01730 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL21595351 1.00 ALDH1A1 (0.40) ALDH1A1GAASMN1; SMN2PKMKMT2A
SCHEMBL9066820 0.77 GAA (0.47) ALDH1A1GAAPKMKMT2APOLB
SCHEMBL7849121 0.77 GAA (0.47) ALDH1A1GAAPKMKMT2APOLB
SCHEMBL9067427 0.72 PKM (0.43) ALDH1A1GAASMN1; SMN2PKMKMT2A
SCHEMBL9066958 0.72 PKM (0.43) ALDH1A1GAASMN1; SMN2PKMKMT2A
SCHEMBL9067095 0.71 PKM (0.45) ALDH1A1GAASMN1; SMN2PKMKMT2A
SCHEMBL9066560 0.71 PKM (0.45) ALDH1A1GAASMN1; SMN2PKMKMT2A
SCHEMBL9068004 0.71 PKM (0.45) ALDH1A1GAAPKMKMT2APOLB
SCHEMBL9066498 0.71 PKM (0.45) ALDH1A1GAASMN1; SMN2PKMKMT2A
SCHEMBL23406562 0.70 PKM (0.44) ALDH1A1GAAPKMKMT2APOLB

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-3810615-B1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2026-01-28 EP disclosed
US-11274111-B2 Arginase inhibitors and methods of use MERCK SHARP & DOHME CORP. (US) 2022-03-15 US disclosed
US-20210163505-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-06-03 US disclosed
EP-3810615-A1 ARGINASE INHIBITORS AND METHODS OF USE Merck Sharp & Dohme Corp. (US) 2021-04-28 EP disclosed
WO-2019245890-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2019-12-26 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-20210163505-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, PRMT1 ALDH1A1 329/4885GAA 120/4885SMN1; SMN2 2243/4885
US-11274111-B2 Arginase inhibitors and methods of use ARG1, ARG2, PRMT1 ALDH1A1 329/4885GAA 120/4885SMN1; SMN2 2243/4885

“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.