SCHEMBL22022876

SCHEMBL22022876

CC(C)(C)c1ccc(-c2cccc(CC(=O)Nc3cc4ccccc4cc3C(=O)O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 1/20 0.51
▸ HCAR2 Q8TDS4 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ SHMT1 P34896 1/20 0.46
▸ SHMT2 P34897 1/20 0.46
▸ ABCC1 P33527 1/20 0.45
▸ PTPN1 P18031 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ NR1H4 Q96RI1 2/20 0.43
▸ NLRP3 Q96P20 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ GRIK1 P39086 1/20 0.43

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
SCHEMBL22022884 0.91 ALDH1A1 (0.49) ACLYHCAR2ALDH1A1KDM4EPKM
SCHEMBL22022935 0.90 ACLY (0.57) ACLYHCAR2ALDH1A1KDM4EPKM
SCHEMBL22022870 0.87 ACLY (0.53) ACLYHCAR2ALDH1A1KDM4EPKM
SCHEMBL22071200 0.87 ACLY (0.55) ACLYHCAR2ALDH1A1KDM4EPKM
SCHEMBL22022920 0.86 ACLY (0.54) ACLYHCAR2ALDH1A1KDM4EPKM
SCHEMBL22022866 0.84 ACLY (0.61) ACLYHCAR2ALDH1A1KDM4ESHMT1
SCHEMBL22022879 0.83 ACLY (0.49) ACLYHCAR2ALDH1A1KDM4EPKM
SCHEMBL22022878 0.83 ACLY (0.60) ACLYALDH1A1KDM4EPKMABCC1
SCHEMBL22022925 0.82 ACLY (0.50) ACLYHCAR2ALDH1A1KDM4EPKM
SCHEMBL22022919 0.78 ABCC1 (0.54) ACLYALDH1A1KDM4EPKMABCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220054438-A1 KCHIP2 MODULATOR COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2022-02-24 — — US claimed
EP-3662908-A1 MODULATING COMPOUNDS OF KCHIP2 AND ITS USE FOR THE TREATMENT OF CARDIOVASCULAR PATHOLOGIES Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2020-06-10 — — EP claimed
US-20220054438-A1 KCHIP2 MODULATOR COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2022-02-24 — — US disclosed
US-20220054438-A1 KCHIP2 MODULATOR COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2022-02-24 — — US disclosed
EP-3662908-A1 MODULATING COMPOUNDS OF KCHIP2 AND ITS USE FOR THE TREATMENT OF CARDIOVASCULAR PATHOLOGIES Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2020-06-10 — — EP disclosed
EP-3662908-A1 MODULATING COMPOUNDS OF KCHIP2 AND ITS USE FOR THE TREATMENT OF CARDIOVASCULAR PATHOLOGIES Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2020-06-10 — — EP 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-20220054438-A1 KCHIP2 MODULATOR COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES KCNK2, KCNT2, KCNT1 ACLY 3559/4885HCAR2 165/4885ALDH1A1 3537/4885

“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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