SCHEMBL23947944

SCHEMBL23947944

CCOC(=O)c1c[nH]c2ccc(NC[C@H](C)NC(=O)OC(C)(C)C)cc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.53
GABRB2 P47870 4/20 0.53
GABRB1 P18505 3/20 0.53
GABRA3 P34903 3/20 0.53
TP53 P04637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TACR1 P25103 1/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL30272541 1.00 GABRA1 (0.53) GABRA1GABRB2GABRB1GABRA3TP53
SCHEMBL30279480 1.00 GABRA1 (0.53) GABRA1GABRB2GABRB1GABRA3TP53
SCHEMBL28906076 1.00 GABRA1 (0.53) GABRA1GABRB2GABRB1GABRA3TP53
SCHEMBL29196443 0.89 PTPN22 (0.47) TP53HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL23924056 0.89 PTPN22 (0.47) TP53HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL23947945 0.83 GABRA1 (0.61) GABRA1GABRB2GABRB1GABRA3TP53
SCHEMBL28906090 0.83 GABRA1 (0.61) GABRA1GABRB2GABRB1GABRA3TP53
SCHEMBL30272542 0.83 GABRA1 (0.61) GABRA1GABRB2GABRB1GABRA3TP53
SCHEMBL23951220 0.81 PTPN22 (0.59) GABRA1GABRB2GABRB1GABRA3TP53
SCHEMBL23947942 0.81 PTPN22 (0.59) GABRA1GABRB2GABRB1GABRA3TP53

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
CN-118290333-A Novel inhibitors of gonorrhoeae-specific tyrosine phosphatase (LYP) 普渡研究基金会 2024-07-05 CN disclosed
CN-115461056-B Inhibitors of Lebaba-specific tyrosine phosphatase (LYP) 普渡研究基金会 2024-04-16 CN disclosed
CN-115461056-A Novel lymphoid specific tyrosine phosphatase (LYP) inhibitors 普渡研究基金会 2022-12-09 CN disclosed
WO-2021211191-A1 NOVEL LYMPHOID-SPECIFIC TYROSINE PHOSPHATASE (LYP) INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2021-10-21 WO disclosed
US-20210323926-A1 Novel Lymphoid-Specific Tyrosine Phosphatase (LYP) Inhibitors PURDUE RESEARCH FOUNDATION (US) 2021-10-21 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-20210323926-A1 Novel Lymphoid-Specific Tyrosine Phosphatase (LYP) Inhibitors PTPN22, PTPN1, PTPRCAP GABRA1 3349/4885GABRB2 3780/4885GABRB1 3248/4885

“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.