SCHEMBL24424600

SCHEMBL24424600

COc1cc(-c2cc(C(=O)N3CCC(C(=O)NCc4ccc(C(F)(F)F)cn4)CC3)n[nH]2)c(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRKAA2 P54646 6/20 0.42
▸ PRKAB2 O43741 1/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42
▸ PRKAG3 Q9UGI9 1/20 0.42
▸ PRKAG2 Q9UGJ0 1/20 0.42
▸ PRKAB1 Q9Y478 1/20 0.42
▸ PIK3CA P42336 5/20 0.39
▸ EPHX2 P34913 3/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SCN9A Q15858 4/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ BIRC5 O15392 1/20 0.36

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
SCHEMBL30629615 1.00 PRKAA2 (0.42) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL24423623 0.91 PRKAA2 (0.40) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL24424028 0.91 ALDH1A1 (0.38) EPHX2MEN1KMT2ASMN1; SMN2BACE1
SCHEMBL29584093 0.90 MEN1 (0.40) EPHX2MEN1KMT2ABACE1
SCHEMBL29583151 0.90 EPHX2 (0.39) EPHX2MEN1POLBKMT2ABACE1
SCHEMBL24423857 0.90 EPHX2 (0.39) EPHX2MEN1POLBKMT2ABACE1
SCHEMBL24424599 0.90 MEN1 (0.40) EPHX2MEN1KMT2ABACE1
SCHEMBL25090829 0.90 EPHX2 (0.43) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL24424642 0.89 PRKAA2 (0.39) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL24424319 0.88 CDK9 (0.39) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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 PRKAA2 126/4885PRKAB2 51/4885PRKAG1 39/4885

“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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