SCHEMBL20051778

SCHEMBL20051778

C/N=C\C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
DRD2 P14416 8/20 0.46
BTK Q06187 1/20 0.44
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
CTSK P43235 2/20 0.42
DRD3 P35462 2/20 0.42
GAA P10253 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8074670 0.88 EPHX1 (0.46) EPHX1DRD2BTKKDM1AMAOB
SCHEMBL27792588 0.88 EPHX1 (0.46) EPHX1DRD2BTKKDM1AMAOB
SCHEMBL27813851 0.88 EPHX1 (0.46) EPHX1DRD2BTKKDM1AMAOB
SCHEMBL224930 0.85 EPHX1 (0.51) EPHX1DRD2BTKKDM1AMAOB
SCHEMBL11921121 0.85 EPHX1 (0.51) EPHX1DRD2BTKKDM1AMAOB
SCHEMBL224929 0.85 EPHX1 (0.51) EPHX1DRD2BTKKDM1AMAOB
SCHEMBL28984106 0.82 EPHX1 (0.46) EPHX1DRD2BTKKDM1AMAOB
SCHEMBL28984107 0.82 EPHX1 (0.46) EPHX1DRD2BTKKDM1AMAOB
SCHEMBL31721375 0.81 DRD2 (0.41) EPHX1DRD2BTKKDM1AMAOB
SCHEMBL20865563 0.81 BTK (0.51) EPHX1DRD2BTKKDM1AMAOB

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
EP-3509591-B1 NOVEL JAK1 SELECTIVE INHIBITORS AND USES THEREOF HIGHLIGHTLL PHARMACEUTICAL HAINAN CO LTD (CN) 2021-11-17 EP disclosed
US-10738060-B2 JAK1 selective inhibitors and uses thereof TLL Pharmaceutical, LLC (US) 2020-08-11 US disclosed
WO-2018067422-A1 NOVEL JAK1 SELECTIVE INHIBITORS AND USES THEREOF LIANG CONGXIN (US) 2018-04-12 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-10738060-B2 JAK1 selective inhibitors and uses thereof JAK1, JAK3, JAK2 EPHX1 3526/4885DRD2 3008/4885BTK 65/4885

“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.