SCHEMBL26643435

SCHEMBL26643435

CN1CC[C@@](O)(c2cccc(-c3nc(-c4ccnc([S+](C)[O-])n4)cs3)c2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 4/20 0.36
▸ SREBF2 Q12772 4/20 0.33
▸ MTOR P42345 1/20 0.33
▸ CYP19A1 P11511 2/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ SCN9A Q15858 2/20 0.31
▸ OPRM1 P35372 1/20 0.30
▸ OPRL1 P41146 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ CDC25A P30304 1/20 0.30
▸ CDC25B P30305 1/20 0.30
▸ CDC25C P30307 1/20 0.30
▸ DUSP3 P51452 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
SCHEMBL26643447 1.00 MAP3K14 (0.36) MAP3K14SREBF2MTORCYP19A1HSD17B1
SCHEMBL26644079 0.93 MAP3K14 (0.40) MAP3K14SREBF2MTORCYP19A1HSD17B1
SCHEMBL26644088 0.93 MAP3K14 (0.40) MAP3K14SREBF2MTORCYP19A1HSD17B1
SCHEMBL26643594 0.88 MAP3K14 (0.43) MAP3K14MTORSCN9A
SCHEMBL26643604 0.88 MAP3K14 (0.43) MAP3K14MTORSCN9A
SCHEMBL26643744 0.86 MAP3K14 (0.40) MAP3K14SREBF2MTORCYP19A1HSD17B1
SCHEMBL26643945 0.86 MAP3K14 (0.40) MAP3K14SREBF2MTORCYP19A1HSD17B1
SCHEMBL26643951 0.86 MAP3K14 (0.40) MAP3K14SREBF2MTORCYP19A1HSD17B1
SCHEMBL31691126 0.86 MAP3K14 (0.40) MAP3K14SREBF2MTORCYP19A1HSD17B1
SCHEMBL26643769 0.86 MAP3K14 (0.40) MAP3K14SREBF2MTORCYP19A1HSD17B1

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
US-20250304567-A1 PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-10-02 — — US disclosed
WO-2023217879-A1 PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 — — WO disclosed
WO-2023217879-A1 PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 — — 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-20250304567-A1 PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE NFKBIA, IKBKG, IKBKB MAP3K14 61/4885SREBF2 772/4885MTOR 359/4885

“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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