SCHEMBL22022866

SCHEMBL22022866

CC(C)(C)c1ccc(-c2cccc(CC(=O)Nc3cc(Cl)ccc3C(=O)O)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 4/20 0.61
▸ SHMT1 P34896 2/20 0.55
▸ SHMT2 P34897 1/20 0.55
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ GRIK1 P39086 3/20 0.51
▸ NR1H4 Q96RI1 2/20 0.49
▸ PPARG P37231 1/20 0.49
▸ HCAR2 Q8TDS4 1/20 0.49
▸ CNR1 P21554 1/20 0.48
▸ SERPINE1 P05121 1/20 0.47
▸ TRPM4 Q8TD43 2/20 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
SCHEMBL22022867 0.90 MEN1 (0.66) ACLYMEN1KMT2AKDM4EALDH1A1
SCHEMBL22022863 0.90 HCAR2 (0.60) ACLYSHMT1SHMT2MEN1KMT2A
SCHEMBL22022886 0.89 ACLY (0.72) ACLYSHMT1SHMT2MEN1KMT2A
SCHEMBL22022885 0.87 ACLY (0.64) ACLYSHMT1SHMT2MEN1KMT2A
SCHEMBL22022901 0.87 ACLY (0.66) ACLYSHMT1SHMT2MEN1KMT2A
SCHEMBL22022929 0.86 ACLY (0.65) ACLYSHMT1SHMT2MEN1KMT2A
SCHEMBL22022883 0.85 ACLY (0.63) ACLYSHMT1SHMT2MEN1KMT2A
SCHEMBL22022876 0.84 ACLY (0.51) ACLYSHMT1SHMT2KDM4EALDH1A1
SCHEMBL22022913 0.84 ACLY (0.59) ACLYSHMT1SHMT2MEN1KMT2A
SCHEMBL22022864 0.82 ACLY (0.75) ACLYMEN1KMT2AKDM4EALDH1A1

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 3559/4885SHMT1 1226/4885SHMT2 396/4885

“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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