SCHEMBL23828304

SCHEMBL23828304

COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(Br)o1)CC3C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.66
▸ SIRT1 Q96EB6 1/20 0.52
▸ MAPKAPK2 P49137 13/20 0.46
▸ MAPKAPK5 Q8IW41 3/20 0.46
▸ BAZ2B Q9UIF8 1/20 0.43
▸ MAPKAPK3 Q16644 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL23828290 0.79 CFTR (1.00) CFTRBAZ2BKDRKDM4EMAPT
SCHEMBL30570539 0.79 CFTR (1.00) CFTRBAZ2BKDRKDM4EMAPT
SCHEMBL11736040 0.69 SIRT1 (1.00) SIRT1MAPKAPK2MAPKAPK5MAPT
SCHEMBL23828230 0.66 CFTR (0.77) CFTRBAZ2BMAPTHDAC1HDAC6
SCHEMBL30570546 0.66 CFTR (0.77) CFTRBAZ2BMAPTHDAC1HDAC6
SCHEMBL1658785 0.64 MAPKAPK2 (1.00) SIRT1MAPKAPK2MAPKAPK5BAZ2BMAPKAPK3
SCHEMBL29171356 0.63 BAZ2B (0.82) CFTRBAZ2BKDR
SCHEMBL12660570 0.63 MAPKAPK2 (1.00) SIRT1MAPKAPK2MAPKAPK5MAPT
SCHEMBL6235224 0.63 MAPKAPK2 (1.00) SIRT1MAPKAPK2MAPKAPK5MAPT
SCHEMBL608164 0.63 MAPKAPK2 (1.00) SIRT1MAPKAPK2MAPKAPK5MAPT

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-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2024-06-04 — — US claimed
EP-3820867-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-09-13 — — EP claimed
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2021-09-23 — — US claimed
US-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2024-06-04 — — US disclosed
EP-3820867-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-09-13 — — EP disclosed
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2021-09-23 — — US 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 (2 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-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis CFTR, ABCB11, ABCC5 CFTR 1/4885SIRT1 3746/4885MAPKAPK2 4200/4885
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 CFTR 1/4885SIRT1 3746/4885MAPKAPK2 4200/4885

“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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