SCHEMBL21496342

SCHEMBL21496342

COC(=O)C(C)(C)C12CC(NC(=O)OC(C)(C)C)(C1)C2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.40
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
DPP8 Q6V1X1 3/20 0.36
DPP9 Q86TI2 3/20 0.36
CTSL P07711 1/20 0.32
FOLH1 Q04609 1/20 0.32
CA12 O43570 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CA2 P00918 1/20 0.31
APLNR P35414 1/20 0.31
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GAA P10253 1/20 0.30
EPHX2 P34913 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
SCHEMBL16118720 0.82 MEN1 (0.41) DGAT1MEN1MAPK1KMT2ADPP8
SCHEMBL16118673 0.82 MEN1 (0.46) DGAT1MEN1MAPK1KMT2ADPP8
SCHEMBL17586290 0.81 MEN1 (0.41) MEN1MAPK1KMT2ADPP8DPP9
SCHEMBL17586314 0.79 MEN1 (0.40) MEN1MAPK1KMT2ADPP8DPP9
SCHEMBL21064425 0.79 MEN1 (0.40) MEN1MAPK1KMT2ADPP8DPP9
SCHEMBL23562951 0.79 MEN1 (0.40) MEN1MAPK1KMT2ADPP8DPP9
SCHEMBL26388800 0.77 KMT2A (0.42) DGAT1MEN1MAPK1KMT2ADPP8
SCHEMBL14657570 0.77 MEN1 (0.42) DGAT1MEN1MAPK1KMT2ADPP8
SCHEMBL16118624 0.76 MEN1 (0.40) DGAT1MEN1MAPK1KMT2ADPP8
SCHEMBL29525421 0.75 CA1 (0.38) MEN1MAPK1KMT2ADPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210393600-A1 Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors MERCK SHARP & DOHME CORP. (US) 2021-12-23 US disclosed
EP-3781142-A1 NOVEL [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS Merck Sharp&Dohme Corp. (US) 2021-02-24 EP disclosed
WO-2019204180-A1 NOVEL [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-10-24 WO disclosed
WO-2019204180-A1 NOVEL [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-10-24 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-20210393600-A1 Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors IDO1, IDO2, TPH1 DGAT1 1737/4885MEN1 1667/4885MAPK1 2146/4885

“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.