SCHEMBL29828468

SCHEMBL29828468

COC(=O)[C@@H](CCc1nc(-c2ccccc2)no1)NC(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ GAA P10253 2/20 0.46
▸ REN P00797 1/20 0.42
▸ TSHR P16473 7/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HPGD P15428 4/20 0.41
▸ HTT P42858 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ AAK1 Q2M2I8 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL29097063 0.93 ALDH1A1 (0.47) ALDH1A1GAARENTSHRMAPT
SCHEMBL27133373 0.83 ALDH1A1 (0.46) ALDH1A1GAATSHRMAPTMAPK1
SCHEMBL27032755 0.83 ALDH1A1 (0.46) ALDH1A1GAATSHRMAPTMAPK1
SCHEMBL29828943 0.81 HPGD (0.49) ALDH1A1GAATSHRMAPTMAPK1
SCHEMBL27032984 0.78 TSHR (0.46) ALDH1A1GAATSHRMAPTMAPK1
SCHEMBL27133810 0.78 TSHR (0.46) ALDH1A1GAATSHRMAPTMAPK1
SCHEMBL31512941 0.78 REN (0.60) ALDH1A1RENMAPTNPSR1AAK1
SCHEMBL13030665 0.75 AAK1 (0.48) RENNPSR1AAK1SMN1; SMN2
SCHEMBL14736018 0.74 TSHR (0.54) ALDH1A1GAATSHRMAPTMAPK1
SCHEMBL29828447 0.74 AAK1 (0.45) ALDH1A1RENAAK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 — — US disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 — — EP disclosed
WO-2022194399-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-22 — — WO 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-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 ALDH1A1 2257/4885GAA 2994/4885REN 537/4885

“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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