SCHEMBL26098992

SCHEMBL26098992

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL21358038 1.00 ESR1 (0.32) ESR1MEN1KMT2A
SCHEMBL21360164 0.89 GAA (0.36)
SCHEMBL21367151 0.83 MEN1 (0.33) ESR1MEN1KMT2A
SCHEMBL21359929 0.81
SCHEMBL26098921 0.78
SCHEMBL26099080 0.78
SCHEMBL21359872 0.78 ELANE (0.46)
SCHEMBL21367005 0.74 PTPN1 (0.34) MEN1KMT2A
SCHEMBL21367006 0.74 PTPN1 (0.34) MEN1KMT2A
SCHEMBL22968909 0.74 PTPN1 (0.34) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230140132-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-05-04 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-20230140132-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, PRMT1 ESR1 4837/4885MEN1 2856/4885KMT2A 2770/4885

“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.