SCHEMBL22022870

SCHEMBL22022870

CCc1ccc(-c2cccc(CC(=O)Nc3cc4ccccc4cc3C(=O)O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 1/20 0.53
▸ ABCC1 P33527 1/20 0.49
▸ BCL2 P10415 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ HCAR2 Q8TDS4 5/20 0.47
▸ PTPN1 P18031 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MAPK8 P45983 1/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ TAOK1 Q7L7X3 1/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL22022919 0.92 ABCC1 (0.54) ACLYABCC1MAPTKDM4EALDH1A1
SCHEMBL22022935 0.92 ACLY (0.57) ACLYABCC1MAPTKDM4EALDH1A1
SCHEMBL22022920 0.90 ACLY (0.54) ACLYABCC1KDM4EALDH1A1PKM
SCHEMBL22022879 0.89 ACLY (0.49) ACLYABCC1MAPTKDM4EALDH1A1
SCHEMBL22071200 0.89 ACLY (0.55) ACLYABCC1KDM4EALDH1A1PKM
SCHEMBL22022876 0.87 ACLY (0.51) ACLYABCC1KDM4EALDH1A1PKM
SCHEMBL22022878 0.87 ACLY (0.60) ACLYABCC1MAPTKDM4EALDH1A1
SCHEMBL22022925 0.84 ACLY (0.50) ACLYABCC1KDM4EALDH1A1PKM
SCHEMBL22022885 0.83 ACLY (0.64) ACLYBCL2KDM4EALDH1A1HCAR2
SCHEMBL22022937 0.81 HCAR2 (0.56) ACLYABCC1MAPTKDM4EALDH1A1

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 8 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-3890734-A1 KCHIP2 MODULATOR COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2021-10-13 — — EP disclosed
WO-2020115019-A1 KCHIP2 MODULATOR COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2020-06-11 — — WO 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 3559/4885ABCC1 588/4885BCL2 2829/4885

“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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