SCHEMBL22022879

SCHEMBL22022879

CCCCc1ccc(-c2cccc(CC(=O)Nc3cc4ccccc4cc3C(=O)O)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ HCAR2 Q8TDS4 6/20 0.48
▸ DHODH Q02127 1/20 0.48
▸ ABCC1 P33527 1/20 0.48
▸ HDAC1 Q13547 1/20 0.46
▸ EIF4A1 P60842 1/20 0.46
▸ RARB P10826 3/20 0.45
▸ RARA P10276 1/20 0.45
▸ RARG P13631 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ METAP2 P50579 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
SCHEMBL22022936 0.93 ABCC1 (0.53) ACLYMAPTTDP1HCAR2DHODH
SCHEMBL22022870 0.89 ACLY (0.53) ACLYMAPTHCAR2ABCC1KDM4E
SCHEMBL22022935 0.88 ACLY (0.57) ACLYMAPTHCAR2ABCC1KDM4E
SCHEMBL22022927 0.86 HCAR2 (0.57) HCAR2DHODHABCC1
SCHEMBL22022920 0.86 ACLY (0.54) ACLYHCAR2ABCC1KDM4EALDH1A1
SCHEMBL22071200 0.85 ACLY (0.55) ACLYHCAR2ABCC1KDM4EALDH1A1
SCHEMBL22022913 0.85 ACLY (0.59) ACLYMAPTTDP1HCAR2RARB
SCHEMBL22022876 0.83 ACLY (0.51) ACLYHCAR2ABCC1KDM4EALDH1A1
SCHEMBL22022878 0.83 ACLY (0.60) ACLYMAPTABCC1KDM4EALDH1A1
SCHEMBL22022919 0.81 ABCC1 (0.54) ACLYMAPTABCC1KDM4EALDH1A1

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 3559/4885MAPT 4762/4885TDP1 4454/4885

“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.

Send feedback