SCHEMBL25991605

SCHEMBL25991605

C[C@@H]1CCCN(C(=O)N(P)c2ccc(OC(C)(C)F)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.53
▸ HPGD P15428 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ LIPE Q05469 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ RECQL P46063 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39

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
SCHEMBL25994363 0.70 GRM3 (0.36) EPHX2HPGDGAAALDH1A1
SCHEMBL13873419 0.69 EPHX2 (1.00) EPHX2LIPE
SCHEMBL25992522 0.68 BTK (0.38) EPHX2GAA
SCHEMBL13139374 0.65 ALDH1A1 (0.53) EPHX2HPGDGAALIPEKMT2A
SCHEMBL9923295 0.64 ALDH1A1 (0.56) HPGDGAALIPEKMT2AMEN1
SCHEMBL8038843 0.63 ALDH1A1 (0.54) EPHX2HPGDGAAKMT2AMEN1
SCHEMBL12957888 0.63 ALDH1A1 (0.54) EPHX2HPGDGAAKMT2AMEN1
SCHEMBL25993403 0.63 EPHX2 (0.46) EPHX2GAAKMT2AALDH1A1NPC1
SCHEMBL16509641 0.62 RECQL (0.70) HPGDGAAKMT2AMEN1RECQL
SCHEMBL30677814 0.62 EPHX2 (0.56) EPHX2GAALIPEKMT2AMEN1

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-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-06-29 — — 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-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF CASP6, CASP1, CASP10 EPHX2 3551/4885HPGD 2551/4885GAA 303/4885

“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.

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