SCHEMBL27032995

SCHEMBL27032995

COc1cc(OC[C@H](N)Cc2ccccc2)c(C(=O)O)c(OC)n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 3/20 0.48
POLB P06746 1/20 0.40
AKT1 P31749 4/20 0.39
TACR1 P25103 1/20 0.38
PDPK1 O15530 2/20 0.38
RPS6KB1 P23443 2/20 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
SCHEMBL27133812 1.00 SCN4A (0.48) SCN4APOLBAKT1TACR1PDPK1
SCHEMBL29829839 0.90 SCN4A (0.46) SCN4APOLBAKT1TACR1
SCHEMBL27129114 0.89 SCN4A (0.51) SCN4AAKT1TACR1PDPK1RPS6KB1
SCHEMBL27032707 0.89 SCN4A (0.51) SCN4AAKT1TACR1PDPK1RPS6KB1
SCHEMBL27032942 0.82 SCN4A (0.51) SCN4AAKT1TACR1RPS6KB1
SCHEMBL27131661 0.82 SCN4A (0.51) SCN4AAKT1TACR1RPS6KB1
SCHEMBL29828802 0.80 SCN4A (0.46) SCN4ATACR1
SCHEMBL29096821 0.80 SCN4A (0.46) SCN4ATACR1
SCHEMBL29096825 0.80 SCN4A (0.46) SCN4ATACR1
Hydrochloric Acid SCHEMBL27032989 0.79 SCN4A (0.50) SCN4APOLBAKT1

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-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

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 SCN4A 424/4885POLB 3290/4885AKT1 1808/4885

“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.