SCHEMBL25018477

SCHEMBL25018477

CC(C)(C)[C@H]1CC[C@H](NC(=O)C(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.56
EPHX2 P34913 1/20 0.53
PKM P14618 1/20 0.43
ALPL P05186 2/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
CPB2 Q96IY4 1/20 0.38
LIPA P38571 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 1/20 0.37
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
USP36 Q9P275 1/20 0.35
GLA P06280 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
CTSD P07339 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL25018478 1.00 EPHX1 (0.56) EPHX1EPHX2PKMALPLALPI
SCHEMBL25018438 0.89 EPHX1 (0.45) EPHX1EPHX2PKMALPLALPI
SCHEMBL25018440 0.89 EPHX1 (0.45) EPHX1EPHX2PKMALPLALPI
SCHEMBL25676075 0.87 EPHX1 (0.54) EPHX1EPHX2PKMALPLALPI
SCHEMBL9891798 0.83 EPHX1 (0.58) EPHX1EPHX2PKMALPLALPI
SCHEMBL12384674 0.83 EPHX1 (0.58) EPHX1EPHX2PKMALPLALPI
SCHEMBL25676086 0.79 EPHX1 (0.58) EPHX1EPHX2PKMALPLALPI
SCHEMBL25676174 0.77 EPHX1 (0.44) EPHX1EPHX2PKMALPLALPI
SCHEMBL23573423 0.76 EPHX1 (0.63) EPHX1EPHX2PKMALPLALPI
SCHEMBL25689877 0.76 EPHX1 (0.63) EPHX1EPHX2PKMALPLALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-11578061-B2 Inhibitors of LRRK2 kinase Halia Therapeutics, Inc. (US) 2023-02-14 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 (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-20230183217-A1 INHIBITORS OF LRRK2 KINASE LRRK2, SNCA, PRKAR2B EPHX1 3742/4885EPHX2 4094/4885PKM 447/4885
US-11578061-B2 Inhibitors of LRRK2 kinase LRRK2, SNCA, PRKAR2B EPHX1 3742/4885EPHX2 4094/4885PKM 447/4885

“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.