SCHEMBL22022925

SCHEMBL22022925

O=C(Cc1cccc(-c2ccc(C3CC3)cc2)c1)Nc1cc2ccccc2cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 1/20 0.50
▸ DGAT1 O75907 1/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CCNA2 P20248 2/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ KCNJ6 P48051 1/20 0.43
▸ KCNJ3 P48549 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ DHODH Q02127 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ABCC1 P33527 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41
▸ CFD P00746 1/20 0.41
▸ SELL P14151 1/20 0.41

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
SCHEMBL22022935 0.89 ACLY (0.57) ACLYPTPN1KDM4EALDH1A1LMNA
SCHEMBL22071200 0.86 ACLY (0.55) ACLYPTPN1KDM4EALDH1A1LMNA
SCHEMBL22022920 0.85 ACLY (0.54) ACLYPTPN1KDM4EALDH1A1LMNA
SCHEMBL22022873 0.84 ACLY (0.60) ACLYKDM4EALDH1A1SMN1; SMN2HCAR2
SCHEMBL22022870 0.84 ACLY (0.53) ACLYPTPN1KDM4EALDH1A1LMNA
SCHEMBL22022876 0.82 ACLY (0.51) ACLYPTPN1KDM4EALDH1A1LMNA
SCHEMBL22022878 0.82 ACLY (0.60) ACLYPTPN1KDM4EALDH1A1LMNA
SCHEMBL22022879 0.80 ACLY (0.49) ACLYKDM4EALDH1A1PKMDHODH
SCHEMBL22022900 0.78 HCAR2 (0.59) PTPN1HCAR2
SCHEMBL22022895 0.76 ACLY (0.53) ACLYPTPN1KDM4EALDH1A1LMNA

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 7 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
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 3559/4885DGAT1 1893/4885PTPN1 4549/4885

“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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