SCHEMBL4028110

SCHEMBL4028110

COC(=O)C(C)(C)Oc1cccc(-c2cccnc2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.51
CYP11B1 P15538 5/20 0.51
CYP19A1 P11511 2/20 0.51
KMO O15229 1/20 0.47
SLC2A1 P11166 1/20 0.45
MKNK1 Q9BUB5 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
CYP17A1 P05093 2/20 0.45
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
NR4A2 P43354 2/20 0.44
EPHX1 P07099 1/20 0.44
ABCB1 P08183 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
DYRK1A Q13627 1/20 0.42
PTAFR P25105 1/20 0.42

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
SCHEMBL4029401 0.86 GRM2 (0.55) CYP11B2CYP11B1CYP19A1KMOMKNK1
SCHEMBL6193992 0.82 BCL9 (0.43) CYP11B2CYP11B1CYP19A1MKNK1MKNK2
SCHEMBL5737876 0.81 CYP3A4 (0.45) ABL1BCRABCB1CYP1A2CYP3A4
SCHEMBL6193112 0.78 BCL9 (0.43) MKNK1MKNK2ABL1
SCHEMBL4607275 0.75 CYP3A4 (0.51) CYP1A2CYP3A4
SCHEMBL13069642 0.75 CES2 (0.49)
SCHEMBL792083 0.75 CYP11B2 (0.73) CYP11B2CYP11B1CYP19A1MKNK1MKNK2
SCHEMBL29566706 0.75 CYP11B2 (0.73) CYP11B2CYP11B1CYP19A1MKNK1MKNK2
SCHEMBL15517755 0.75 CYP19A1 (0.52) CYP11B2CYP11B1CYP19A1KMOSLC2A1
SCHEMBL6310133 0.74 MRGPRX4 (0.54) NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145931-A1 SMALL MOLECULE INHIBITOR FOR β-CATENIN/BCL9 PROTEIN-PROTEIN INTERACTION AND USE THEREOF 上海医药工业研究院有限公司 2024-07-11 WO disclosed
CN-116444420-A Small molecule inhibitor of beta-catenin/BCL 9 protein interaction and application thereof 上海医药工业研究院有限公司 2023-07-18 CN disclosed
CN-116162056-A Small molecule inhibitor of beta-catenin/BCL 9 protein-protein interaction and application thereof 上海医药工业研究院 2023-05-26 CN disclosed
EP-1567493-B1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS PFIZER PROD INC (US) 2009-03-18 EP disclosed
US-20070191429-A1 PPAR ACTIVATORS PFIZER INC. (US) 2007-08-16 US disclosed
US-7199243-B2 Piperidine compounds useful as PPAR activators PFIZER INC. (US) 2007-04-03 US disclosed
EP-1567493-A1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS Pfizer Products Inc. (US) 2005-08-31 EP disclosed
US-20040157885-A1 PPAR activators PFIZER INC 2004-08-12 US disclosed
WO-2004048334-A1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS PFIZER PRODUCTS INC. (US) 2004-06-10 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 (2 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-20070191429-A1 PPAR ACTIVATORS PPARA, PPARG, PPARD CYP11B2 735/4885CYP11B1 444/4885CYP19A1 1108/4885
US-20040157885-A1 PPAR activators PPARA, PPARG, PPARD CYP11B2 735/4885CYP11B1 444/4885CYP19A1 1108/4885

“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.