SCHEMBL23947391

SCHEMBL23947391

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 1.00
PLAU P00749 1/20 0.44
PLAUR Q03405 1/20 0.44
CFTR P13569 11/20 0.44
KDM4E B2RXH2 1/20 0.43
NR4A2 P43354 1/20 0.43
MAOB P27338 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 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
SCHEMBL22885957 1.00 PTPN22 (1.00) PTPN22PLAUPLAURCFTRKDM4E
SCHEMBL23923885 1.00 PTPN22 (1.00) PTPN22PLAUPLAURCFTRKDM4E
SCHEMBL23948028 0.93 PTPN22 (0.88) PTPN22PLAUPLAURCFTRKDM4E
SCHEMBL23947589 0.93 PTPN22 (0.88) PTPN22PLAUPLAURCFTRKDM4E
SCHEMBL23947411 0.93 PTPN22 (0.86) PTPN22KDM4EABL1BCR
SCHEMBL23947561 0.93 PTPN22 (0.86) PTPN22CFTRKDM4EMAOBABL1
SCHEMBL23947528 0.92 PTPN22 (0.85) PTPN22PLAUPLAURCFTRKDM4E
SCHEMBL23947590 0.91 PTPN22 (0.83) PTPN22CFTR
SCHEMBL23947360 0.91 PTPN22 (0.83) PTPN22PLAUPLAURCFTRKDM4E
SCHEMBL23947583 0.90 PTPN22 (0.82) PTPN22PLAUPLAURCFTRKDM4E

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.