SCHEMBL24424347

SCHEMBL24424347

COc1cc(-c2cc(C(=O)N3CCC(C(=O)NCc4cccc(F)c4)CC3)n[nH]2)c(Cl)cn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CCNT1 O60563 3/20 0.44
▸ PKM P14618 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ ACHE P22303 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NTRK1 P04629 3/20 0.42
▸ NTRK3 Q16288 1/20 0.42
▸ NTRK2 Q16620 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL29584425 1.00 THRB (0.45) THRBALDH1A1CCNT1PKMKMT2A
SCHEMBL24422946 0.93 KMT2A (0.49) THRBALDH1A1PKMKMT2AACHE
SCHEMBL29584116 0.93 KMT2A (0.49) THRBALDH1A1PKMKMT2AACHE
SCHEMBL29583211 0.89 SMO (0.43) ALDH1A1PKMKMT2AACHEBACE1
SCHEMBL24423840 0.89 SMO (0.43) ALDH1A1PKMKMT2AACHEBACE1
SCHEMBL24424000 0.89 EPHX2 (0.44) PKMKMT2AMEN1
SCHEMBL29243527 0.89 KMT2A (0.43) ALDH1A1KMT2AACHEBACE1MEN1
SCHEMBL30630497 0.89 KMT2A (0.43) ALDH1A1KMT2AACHEBACE1MEN1
SCHEMBL24424310 0.88 KMT2A (0.47) THRBALDH1A1CCNT1KMT2AACHE
SCHEMBL29585745 0.88 CCNT1 (0.38) ALDH1A1CCNT1PKMACHEBACE1

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 THRB 273/4885ALDH1A1 542/4885CCNT1 3299/4885

“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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