SCHEMBL21994431

SCHEMBL21994431

N[C@@H](Cc1ccc(Cl)c(F)c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.57
PTGS1 P23219 3/20 0.57
ALOX15 P16050 3/20 0.57
HIF1A Q16665 3/20 0.57
KDM4E B2RXH2 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
USP2 O75604 1/20 0.57
EGFR P00533 1/20 0.57
LCK P06239 1/20 0.57
FYN P06241 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
HTR2A P28223 1/20 0.57
PTGS2 P35354 1/20 0.57
RECQL P46063 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PKM P14618 2/20 0.51
ALPI P09923 1/20 0.51
XIAP P98170 1/20 0.51
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49

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
SCHEMBL20132819 1.00 SLC7A5 (0.57) SLC7A5PTGS1ALOX15HIF1AKDM4E
SCHEMBL21994433 1.00 SLC7A5 (0.57) SLC7A5PTGS1ALOX15HIF1AKDM4E
SCHEMBL9862545 0.87 SLC7A5 (0.57) SLC7A5PTGS1ALOX15HIF1AKDM4E
SCHEMBL9862549 0.87 SLC7A5 (0.57) SLC7A5PTGS1ALOX15HIF1AKDM4E
SCHEMBL12104026 0.87 PNMT (0.45) SLC7A5PTGS1ALOX15HIF1AKDM4E
SCHEMBL12167696 0.87 PPARG (0.43) SLC7A5PTGS1ALOX15HIF1AKDM4E
SCHEMBL30510315 0.87 SLC7A5 (0.57) SLC7A5PTGS1ALOX15HIF1AKDM4E
Hydrochloric Acid SCHEMBL27477387 0.86 SLC7A5 (0.55) SLC7A5PTGS1ALOX15HIF1AKDM4E
Hydrochloric Acid SCHEMBL27478678 0.86 SLC7A5 (0.55) SLC7A5PTGS1ALOX15HIF1AKDM4E
SCHEMBL1613644 0.85 SLC7A5 (0.62) SLC7A5PTGS1ALOX15HIF1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113481228-B Microbial unnatural amino acid introducing system and construction method 中国药科大学 2024-07-19 CN claimed
CN-113481228-A Microorganism unnatural amino acid introduction system and construction method 中国药科大学 2021-10-08 CN claimed
CN-113481228-B Microbial unnatural amino acid introducing system and construction method 中国药科大学 2024-07-19 CN disclosed
US-20230089867-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER NOVARTIS AG (CH) 2023-03-23 US disclosed
CN-113481228-A Microorganism unnatural amino acid introduction system and construction method 中国药科大学 2021-10-08 CN disclosed
EP-3887363-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER Novartis AG (CH) 2021-10-06 EP disclosed
CN-106999536-B Macrocyclic inhibitors of PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions 百时美施贵宝公司 2020-11-27 CN disclosed
WO-2020110008-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER NOVARTIS AG (CH) 2020-06-04 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-20230089867-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER PCSK9, PCSK7, PCSK6 SLC7A5 3361/4885PTGS1 3677/4885ALOX15 1122/4885

“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.