SCHEMBL21367038

SCHEMBL21367038

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 1/20 0.31
F13A1 P00488 1/20 0.31
TGM2 P21980 1/20 0.31
TGM1 P22735 1/20 0.31
PTPN1 P18031 1/20 0.31
PDE4B Q07343 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL21358150 1.00 NR1H2 (0.31) NR1H2NR1H3F13A1TGM2TGM1
SCHEMBL22968747 0.88 PDE4B (0.31) NR1H2NR1H3F13A1TGM2TGM1
SCHEMBL21366944 0.88 NR1H2 (0.32) NR1H2F13A1TGM2TGM1
SCHEMBL21367078 0.88 HSD17B10 (0.33) NR1H2F13A1TGM2TGM1CHRM2
SCHEMBL21366881 0.87 PDE4B (0.32) NR1H2NR1H3F13A1TGM2TGM1
SCHEMBL22968833 0.87 NR1H2 (0.31) NR1H2NR1H3F13A1TGM2TGM1
SCHEMBL21358216 0.85 KDM4E (0.32)
SCHEMBL31367145 0.85 NR1H2 (0.31) NR1H2NR1H3F13A1TGM2TGM1
SCHEMBL31367116 0.85 NR1H2 (0.31) NR1H2NR1H3F13A1TGM2TGM1
SCHEMBL31367125 0.85 NR1H2 (0.31) NR1H2NR1H3F13A1TGM2TGM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12215116-B2 Arginase inhibitors and methods of use MERCK SHARP & DOHME LLC (US) 2025-02-04 US disclosed
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 (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 NR1H2 159/4885NR1H3 177/4885F13A1 553/4885
US-12215116-B2 Arginase inhibitors and methods of use ARG1, ARG2, PRMT1 NR1H2 159/4885NR1H3 177/4885F13A1 553/4885

“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.