SCHEMBL23947343

SCHEMBL23947343

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.74
ADAMTS5 Q9UNA0 2/20 0.46
ADAMTS4 O75173 1/20 0.46
MMP2 P08253 3/20 0.46
PLAU P00749 1/20 0.46
PLAUR Q03405 1/20 0.46
MMP12 P39900 3/20 0.43
MMP8 P22894 2/20 0.43
MMP3 P08254 1/20 0.43
MMP10 P09238 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
HDAC8 Q9BY41 7/20 0.43
HDAC3 O15379 6/20 0.43
HDAC4 P56524 6/20 0.43
HDAC1 Q13547 6/20 0.43
HDAC7 Q8WUI4 6/20 0.43
HDAC2 Q92769 6/20 0.43
HDAC10 Q969S8 6/20 0.43

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
SCHEMBL23947993 0.93 PTPN22 (0.72) PTPN22MMP2PLAUPLAURMMP12
SCHEMBL23947990 0.93 PTPN22 (0.77) PTPN22PLAUPLAURHDAC8HDAC3
SCHEMBL23948060 0.90 PTPN22 (0.79) PTPN22PLAUPLAURHDAC8HDAC3
SCHEMBL23947423 0.90 PTPN22 (0.78) PTPN22PLAUPLAURHDAC8HDAC3
SCHEMBL23947424 0.89 PTPN22 (0.77) PTPN22PLAUPLAURHDAC8HDAC3
SCHEMBL23947992 0.89 PTPN22 (0.77) PTPN22PLAUPLAURHDAC8HDAC3
SCHEMBL23947564 0.89 PTPN22 (0.71) PTPN22PLAUPLAURHDAC8HDAC3
SCHEMBL23947952 0.89 PTPN22 (0.66) PTPN22PLAUPLAURHDAC8HDAC3
SCHEMBL23947371 0.88 PTPN22 (0.75) PTPN22PLAUPLAURHDAC8HDAC3
SCHEMBL23947417 0.88 PTPN22 (0.80) 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 1/4885ADAMTS5 896/4885ADAMTS4 963/4885

“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.