SCHEMBL27204693

SCHEMBL27204693

CC(C)(C)OC(=O)NC(Cc1nc(-c2cccc(Oc3ccc(Cl)cn3)c2)no1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 2/20 0.42
▸ SORT1 Q99523 2/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ PTPN1 P18031 2/20 0.40
▸ FFAR1 O14842 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ NPPA P01160 1/20 0.38
▸ MME P08473 1/20 0.38
▸ ACE P12821 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ TRPA1 O75762 1/20 0.37

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
SCHEMBL27171436 1.00 GRN (0.42) GRNSORT1SCN9APTPN1FFAR1
SCHEMBL27204735 0.91 LTA4H (0.42) GRNSORT1SCN9APTPN1FFAR1
SCHEMBL27171401 0.91 LTA4H (0.42) GRNSORT1SCN9APTPN1FFAR1
SCHEMBL29123472 0.91 GRN (0.42) GRNSORT1SCN9APTPN1FFAR1
SCHEMBL24665364 0.90 FFAR1 (0.39) SCN9AFFAR1PPARGCTSL
SCHEMBL30006150 0.90 LTA4H (0.38) GRNSORT1FFAR1NPSR1PPARG
SCHEMBL24665367 0.90 LTA4H (0.38) GRNSORT1FFAR1NPSR1PPARG
SCHEMBL29123537 0.89 MAPK1 (0.42) GRNSORT1SCN9APTPN1FFAR1
SCHEMBL29123526 0.88 PTPN1 (0.42) GRNSORT1SCN9APTPN1FFAR1
SCHEMBL29123439 0.86 LTA4H (0.53) SCN9A

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-20240199593-A1 Novel Heteroaryl Aminopropanol Derivatives NOVARTIS PHARMA AG (CH) 2024-06-20 — — US disclosed
US-11932630-B2 Heteroaryl aminopropanol derivatives NOVARTIS AG (CH) 2024-03-19 — — US disclosed
CN-117015537-A Heteroaryl aminopropanol derivatives as inhibitors of LTA4H 诺华股份有限公司 2023-11-07 — — CN 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-20240199593-A1 Novel Heteroaryl Aminopropanol Derivatives CYP3A43, CYP3A5, CYP51A1 GRN 1016/4885SORT1 1525/4885SCN9A 2922/4885
US-11932630-B2 Heteroaryl aminopropanol derivatives CYP3A43, CYP11B2, ADRB3 GRN 3180/4885SORT1 1147/4885SCN9A 1338/4885

“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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