SCHEMBL23947990

SCHEMBL23947990

O=C(O)C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc2[nH]cc(C(=O)O)c(=O)c2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.77
PLAU P00749 1/20 0.47
PLAUR Q03405 1/20 0.47
HDAC8 Q9BY41 6/20 0.44
HDAC3 O15379 5/20 0.44
HDAC4 P56524 5/20 0.44
HDAC1 Q13547 5/20 0.44
HDAC7 Q8WUI4 5/20 0.44
HDAC2 Q92769 5/20 0.44
HDAC10 Q969S8 5/20 0.44
HDAC11 Q96DB2 5/20 0.44
HDAC6 Q9UBN7 5/20 0.44
HDAC9 Q9UKV0 5/20 0.44
HDAC5 Q9UQL6 5/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CFTR P13569 5/20 0.41

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
SCHEMBL23947343 0.93 PTPN22 (0.74) PTPN22PLAUPLAURHDAC8HDAC3
SCHEMBL23947423 0.92 PTPN22 (0.78) PTPN22PLAUPLAURHDAC8HDAC3
SCHEMBL23947992 0.91 PTPN22 (0.77) PTPN22PLAUPLAURHDAC8HDAC3
SCHEMBL23947424 0.91 PTPN22 (0.77) PTPN22PLAUPLAURHDAC8HDAC3
SCHEMBL23947371 0.90 PTPN22 (0.75) PTPN22PLAUPLAURHDAC8HDAC3
SCHEMBL23947417 0.89 PTPN22 (0.80) PTPN22PLAUPLAURHDAC8HDAC3
SCHEMBL23948060 0.88 PTPN22 (0.79) PTPN22PLAUPLAURHDAC8HDAC3
SCHEMBL23947991 0.88 PTPN22 (0.68) PTPN22PLAUPLAURHDAC8HDAC3
SCHEMBL23947584 0.88 PTPN22 (0.72) PTPN22PLAUPLAURHDAC8HDAC3
SCHEMBL23947391 0.87 PTPN22 (1.00) PTPN22PLAUPLAURHDAC8HDAC3

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-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 PTPN22 1/4885PLAU 4337/4885PLAUR 4689/4885

“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.