Sugi Predict

Sugi Predict / Compounds / SCHEMBL23121981

SCHEMBL23121981

SCHEMBL23121981

C[C@@H]1CC(c2ccc([N+](=O)[O-])c(O)c2)=CCN1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SETD7 Q8WTS6 1/20 0.32
▸ QDPR P09417 1/20 0.32
▸ USP30 Q70CQ3 2/20 0.32
▸ UCHL1 P09936 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ MCL1 Q07820 3/20 0.31

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
SCHEMBL23122777 1.00 SIRT6 (0.35) SIRT6MAPTLMNAALDH1A1NPSR1
SCHEMBL24793988 1.00 SIRT6 (0.35) SIRT6MAPTLMNAALDH1A1NPSR1
SCHEMBL29751779 1.00 SIRT6 (0.35) SIRT6MAPTLMNAALDH1A1NPSR1
SCHEMBL23122883 0.87 SIRT6 (0.39) SIRT6MAPTGPR35THRBPKM
SCHEMBL29709692 0.80 NAMPT (0.51) MAPTLMNAALDH1A1QDPRNAMPT
SCHEMBL24793986 0.80 NAMPT (0.51) MAPTLMNAALDH1A1QDPRNAMPT
SCHEMBL24794742 0.78 MAPT (0.36) SIRT6MAPTLMNAALDH1A1GPR35
SCHEMBL24794750 0.77 MAPT (0.43) SIRT6MAPTLMNAALDH1A1GPR35
SCHEMBL29709685 0.77 MAPT (0.43) SIRT6MAPTLMNAALDH1A1GPR35
SCHEMBL24700152 0.76 GRM5 (0.42) USP30UCHL1NAMPTGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402901-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS BIAL R&D INVEST S A (PT) 2022-12-22 — — US disclosed
US-20220402901-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS BIAL R&D INVEST S A (PT) 2022-12-22 — — US disclosed
EP-4031535-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS Bial-R&D Investments, S.A. (PT) 2022-07-27 — — EP disclosed
CN-114761386-A Substituted N-heterocyclic carboxamides as acid ceramidase inhibitors and their use as pharmaceuticals 比亚尔R&D投资股份公司 2022-07-15 — — CN disclosed
WO-2021055627-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS BIAL- BIOTECH INVESTMENTS, INC. (US) 2021-03-25 — — 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-20220402901-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS ASAH2, ASAH1, GBA1 SIRT6 237/4885MAPT 1369/4885LMNA 828/4885

“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.