SCHEMBL27171409

SCHEMBL27171409

CC(C)(C)OC(=O)N[C@@H](Cc1nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)no1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ SCN9A Q15858 9/20 0.44
▸ FPR2 P25090 1/20 0.44
▸ FFAR1 O14842 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ NPPA P01160 1/20 0.41
▸ MME P08473 1/20 0.41
▸ GRN P28799 1/20 0.40
▸ SORT1 Q99523 1/20 0.40
▸ PTPN1 P18031 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
SCHEMBL27204662 1.00 LMNA (0.46) LMNASCN9AFPR2FFAR1TP53
SCHEMBL29123537 0.91 MAPK1 (0.42) LMNASCN9AFFAR1MAPTPPARG
SCHEMBL24665448 0.90 PPARD (0.44) LMNASCN9AFPR2FFAR1PPARA
SCHEMBL29123464 0.89 SCN9A (0.41) SCN9ATP53PPARALTA4HNPPA
SCHEMBL30006191 0.89 SCN9A (0.47) LMNASCN9AFPR2FFAR1TP53
SCHEMBL29123609 0.89 SCN9A (0.47) LMNASCN9AFPR2FFAR1TP53
SCHEMBL27204735 0.89 LTA4H (0.42) SCN9AFPR2FFAR1MAPTSMN1; SMN2
SCHEMBL27171401 0.89 LTA4H (0.42) SCN9AFPR2FFAR1MAPTSMN1; SMN2
SCHEMBL30689299 0.84 FFAR1 (0.51) LMNASCN9AFPR2FFAR1TP53
SCHEMBL24664168 0.82 SCN9A (0.43) SCN9AFFAR1MAPTPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11932630-B2 Heteroaryl aminopropanol derivatives NOVARTIS AG (CH) 2024-03-19 — — 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 (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-11932630-B2 Heteroaryl aminopropanol derivatives CYP3A43, CYP11B2, ADRB3 LMNA 3879/4885SCN9A 1338/4885FPR2 1570/4885

“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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