SCHEMBL23612430

SCHEMBL23612430

CC/C(O)=C\C=C(/C)NCCC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ ELANE P08246 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HIF1A Q16665 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
SCHEMBL26004385 0.79 MLYCD (0.39) MLYCDEPHX2GAAMEN1KMT2A
SCHEMBL1709282 0.74 MEN1 (0.48) MLYCDEPHX2GAAMEN1KMT2A
SCHEMBL8645031 0.73 KDM4E (0.43) MLYCDEPHX2GAAMEN1KMT2A
SCHEMBL29291003 0.73 EPHX2 (0.42) MLYCDEPHX2GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL7451357 0.72 MLYCD (0.41) MLYCDEPHX2GAAMEN1KMT2A
SCHEMBL13991916 0.71 MLYCD (0.39) MLYCDEPHX2GAAMEN1KMT2A
SCHEMBL4960461 0.71 MLYCD (0.40) MLYCDEPHX2GAAMEN1KMT2A
SCHEMBL2799440 0.70 TDP1 (0.56) MLYCDEPHX2GAAMEN1KMT2A
SCHEMBL18914456 0.70 EPHX2 (0.42) MLYCDEPHX2GAAMEN1KMT2A
SCHEMBL947583 0.69 CASP2 (0.48) MLYCDEPHX2GAAHPGD

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-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases GENFIT (FR) 2021-07-06 — — 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-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases RORA, RORC, RORB MLYCD 3140/4885EPHX2 266/4885GAA 839/4885

“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.

Send feedback