SCHEMBL23947411

SCHEMBL23947411

C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)cc1)C(=O)Nc1ccc2[nH]cc(C(=O)O)c(=O)c2c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.86
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HTR1D P28221 8/20 0.43
HTR1B P28222 5/20 0.43
HTR1A P08908 1/20 0.43
HTR1F P30939 1/20 0.43
ABL1 P00519 2/20 0.42
BCR P11274 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PTPN7 P35236 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CHRM2 P08172 1/20 0.39

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 0.93 PTPN22 (1.00) PTPN22KDM4EABL1BCR
SCHEMBL23923885 0.93 PTPN22 (1.00) PTPN22KDM4EABL1BCR
SCHEMBL23947391 0.93 PTPN22 (1.00) PTPN22KDM4EABL1BCR
SCHEMBL23947528 0.92 PTPN22 (0.85) PTPN22KDM4EHPGDHSD17B10ABL1
SCHEMBL23948028 0.92 PTPN22 (0.88) PTPN22KDM4EHPGDHSD17B10ABL1
SCHEMBL23947561 0.91 PTPN22 (0.86) PTPN22KDM4EABL1BCRKMT2A
SCHEMBL23947360 0.89 PTPN22 (0.83) PTPN22KDM4EHPGDHSD17B10ABL1
SCHEMBL23947590 0.89 PTPN22 (0.83) PTPN22POLBMAPT
SCHEMBL23947589 0.86 PTPN22 (0.88) PTPN22KDM4EABL1BCRKMT2A
SCHEMBL23947530 0.85 PTPN22 (0.79) PTPN22KDM4EABL1BCRKMT2A

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 1/4885KDM4E 533/4885HPGD 4158/4885

“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.