SCHEMBL21367151

SCHEMBL21367151

C=CC[C@]1(C)C(=O)CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 1/20 0.33
BUB1 O43683 1/20 0.33
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32
TGM1 P22735 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
ESR1 P03372 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
SCHEMBL21367006 0.89 PTPN1 (0.34) MEN1KMT2ABUB1F13A1TGM2
SCHEMBL22968909 0.89 PTPN1 (0.34) MEN1KMT2ABUB1F13A1TGM2
SCHEMBL21367005 0.89 PTPN1 (0.34) MEN1KMT2ABUB1F13A1TGM2
SCHEMBL5201608 0.88 MEN1 (0.33) MEN1KMT2AHSD17B10BUB1F13A1
SCHEMBL5201612 0.88 MEN1 (0.33) MEN1KMT2AHSD17B10BUB1F13A1
SCHEMBL22968912 0.84 PTPN1 (0.30)
SCHEMBL21358038 0.83 ESR1 (0.32) MEN1KMT2AESR1
SCHEMBL26098992 0.83 ESR1 (0.32) MEN1KMT2AESR1
SCHEMBL875307 0.80 HSD17B10 (0.37) MEN1KMT2AHSD17B10BUB1SMN1; SMN2
SCHEMBL875308 0.80 HSD17B10 (0.37) MEN1KMT2AHSD17B10BUB1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040127-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-02-11 US disclosed
WO-2019177873-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2019-09-19 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 (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-20210040127-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, PRMT1 MEN1 2856/4885KMT2A 2770/4885HSD17B10 1288/4885

“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.