SCHEMBL29707782

SCHEMBL29707782

CC(C)(O)Cn1nc(-c2cccc(-c3ncc(C(=O)NC(C4CC4)C4CC4)o3)c2)cc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.37
▸ USP30 Q70CQ3 1/20 0.35
▸ MMEL1 Q495T6 1/20 0.35
▸ ALPL P05186 2/20 0.33
▸ GRN P28799 2/20 0.33
▸ SORT1 Q99523 2/20 0.33
▸ MET P08581 1/20 0.32
▸ PHGDH O43175 1/20 0.32

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
SCHEMBL23041607 1.00 MME (0.37) MMEUSP30MMEL1ALPLGRN
SCHEMBL23051964 0.91 MME (0.34) MMEUSP30MMEL1ALPLMET
SCHEMBL23041498 0.91 MME (0.36) MMEUSP30MMEL1PHGDH
SCHEMBL23041497 0.91 MME (0.36) MMEUSP30MMEL1PHGDH
SCHEMBL23041388 0.91 MME (0.36) MMEUSP30MMEL1PHGDH
SCHEMBL23041387 0.91 MME (0.36) MMEUSP30MMEL1PHGDH
SCHEMBL23041442 0.89 PHGDH (0.35) MMEUSP30MMEL1ALPLMET
SCHEMBL23041445 0.89 PHGDH (0.35) MMEUSP30MMEL1ALPLMET
SCHEMBL23051965 0.88 CNR2 (0.34) MMEUSP30PHGDH
SCHEMBL28721016 0.88 CNR2 (0.34) MMEUSP30PHGDH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306617-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2022-09-29 — — US disclosed
EP-4021572-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2022-07-06 — — 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-20220306617-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE CFTR, TMEM161A, TMEM164 MME 4464/4885USP30 2666/4885MMEL1 2293/4885

“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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