SCHEMBL24423840

SCHEMBL24423840

COc1cc(-c2cc(C(=O)N3CCC(C(=O)NCc4cccc(Cl)c4F)CC3)n[nH]2)c(Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 2/20 0.43
▸ P2RX7 Q99572 3/20 0.41
▸ EPHX2 P34913 4/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CFD P00746 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ACHE P22303 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL29583211 1.00 SMO (0.43) SMOP2RX7EPHX2MEN1KMT2A
SCHEMBL24423552 0.96 SMO (0.42) SMOP2RX7EPHX2MEN1KMT2A
SCHEMBL29583439 0.96 SMO (0.42) SMOP2RX7EPHX2MEN1KMT2A
SCHEMBL29584084 0.90 EPHX2 (0.41) SMOP2RX7EPHX2MEN1KMT2A
SCHEMBL24423942 0.90 EPHX2 (0.41) SMOP2RX7EPHX2MEN1KMT2A
SCHEMBL24424000 0.90 EPHX2 (0.44) SMOEPHX2MEN1KMT2ACA12
SCHEMBL29243659 0.89 EPHX2 (0.47) SMOEPHX2
SCHEMBL30630709 0.89 EPHX2 (0.47) SMOEPHX2
SCHEMBL24424347 0.89 THRB (0.45) MEN1KMT2APKMALDH1A1ACHE
SCHEMBL29584425 0.89 THRB (0.45) MEN1KMT2APKMALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 — — CN claimed
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 — — CN disclosed
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-03-02 — — US disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 — — 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-20230062861-A1 PPARg MODULATORS AND METHODS OF USE PPARG, PPARA, PPARD SMO 1469/4885P2RX7 594/4885EPHX2 3345/4885

“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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