SCHEMBL5419241

SCHEMBL5419241

CCOC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 1/20 0.59
▸ KLK5 Q9Y337 1/20 0.59
▸ CACNA1B Q00975 5/20 0.56
▸ PPARA Q07869 3/20 0.54
▸ SYK P43405 1/20 0.54
▸ CTSS P25774 4/20 0.51
▸ CTSK P43235 3/20 0.51
▸ TACR1 P25103 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ PPARG P37231 2/20 0.49
▸ CTSL P07711 1/20 0.49
▸ CTSB P07858 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ ACE P12821 1/20 0.47

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
SCHEMBL25491606 1.00 KLK7 (0.59) KLK7KLK5CACNA1BPPARASYK
SCHEMBL4370045 0.94 KLK5 (0.65) KLK7KLK5CACNA1BPPARASYK
SCHEMBL14456732 0.92 KLK7 (0.52) KLK7KLK5CACNA1BPPARASYK
SCHEMBL5623452 0.92 KLK7 (0.52) KLK7KLK5CACNA1BPPARASYK
SCHEMBL16286010 0.90 CACNA1B (0.59) KLK7KLK5CACNA1BPPARASYK
SCHEMBL20481004 0.90 CACNA1B (0.59) KLK7KLK5CACNA1BPPARASYK
SCHEMBL20144655 0.90 CACNA1B (0.59) KLK7KLK5CACNA1BPPARASYK
SCHEMBL9943561 0.89 KLK5 (0.65) KLK7KLK5CACNA1BPPARASYK
SCHEMBL9943562 0.89 KLK5 (0.65) KLK7KLK5CACNA1BPPARASYK
SCHEMBL12585497 0.89 KLK5 (0.65) KLK7KLK5CACNA1BPPARASYK

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
WO-2023083291-A1 DERIVATIVE OF ASPARTIC ACID AND USE THEREOF IN TREATMENT OF METABOLIC DISEASES SUCH AS HEPATIC FIBROSIS AND NON-ALCOHOLIC HEPATITIS 深圳利沃生物医药科技有限公司 2023-05-19 — — WO disclosed
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 — — 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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 KLK7 3432/4885KLK5 1667/4885CACNA1B 3855/4885

“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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