SCHEMBL22022913

SCHEMBL22022913

CCCCc1ccc(-c2cccc(CC(=O)Nc3cc(Cl)ccc3C(=O)O)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 1/20 0.59
▸ KDM4E B2RXH2 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ HCAR2 Q8TDS4 4/20 0.55
▸ KCNK2 O95069 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ GRIK1 P39086 2/20 0.49
▸ SHMT1 P34896 1/20 0.48
▸ SHMT2 P34897 1/20 0.48
▸ AKR1C2 P52895 1/20 0.47
▸ AKR1C1 Q04828 1/20 0.47
▸ RARB P10826 3/20 0.47
▸ RARA P10276 1/20 0.47
▸ RARG P13631 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL22022893 0.92 MEN1 (0.65) ACLYKDM4EALDH1A1MEN1KMT2A
SCHEMBL22022904 0.91 HCAR2 (0.65) ACLYKDM4EALDH1A1MEN1KMT2A
SCHEMBL22022885 0.90 ACLY (0.64) ACLYKDM4EALDH1A1MEN1KMT2A
SCHEMBL22022886 0.87 ACLY (0.72) ACLYKDM4EALDH1A1MEN1KMT2A
SCHEMBL22022929 0.86 ACLY (0.65) ACLYKDM4EALDH1A1MEN1KMT2A
SCHEMBL22022901 0.85 ACLY (0.66) ACLYKDM4EALDH1A1MEN1KMT2A
SCHEMBL22022910 0.85 KDM4E (0.72) KDM4EALDH1A1MEN1KMT2AHCAR2
SCHEMBL22022879 0.85 ACLY (0.49) ACLYKDM4EALDH1A1HCAR2RARB
SCHEMBL19511998 0.85 ACLY (0.56) ACLYKDM4EALDH1A1MEN1KMT2A
SCHEMBL22022866 0.84 ACLY (0.61) ACLYKDM4EALDH1A1MEN1KMT2A

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 3559/4885KDM4E 967/4885ALDH1A1 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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