SCHEMBL23947360

SCHEMBL23947360

C[C@H](NC(=O)c1ccc(-c2ccsc2)cc1)C(=O)Nc1ccc2[nH]cc(C(=O)O)c(=O)c2c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.83
P2RY14 Q15391 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ABL1 P00519 5/20 0.39
BCR P11274 5/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PLG P00747 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
CFTR P13569 3/20 0.38
NHERF1 O14745 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC1 Q13547 1/20 0.38
PLAU P00749 1/20 0.37

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 0.91 PTPN22 (1.00) PTPN22KDM4EABL1BCRCFTR
SCHEMBL23947391 0.91 PTPN22 (1.00) PTPN22KDM4EABL1BCRCFTR
SCHEMBL23923885 0.91 PTPN22 (1.00) PTPN22KDM4EABL1BCRCFTR
SCHEMBL23948028 0.90 PTPN22 (0.88) PTPN22KDM4EABL1BCRCFTR
SCHEMBL23947411 0.89 PTPN22 (0.86) PTPN22KDM4EABL1BCRHSD17B10
SCHEMBL23947561 0.89 PTPN22 (0.86) PTPN22KDM4EABL1BCRPLG
SCHEMBL23947590 0.88 PTPN22 (0.83) PTPN22CFTRHTTMAPTTP53
SCHEMBL23947528 0.85 PTPN22 (0.85) PTPN22KDM4EABL1BCRCFTR
SCHEMBL23947589 0.84 PTPN22 (0.88) PTPN22KDM4EABL1BCRCFTR
SCHEMBL23947583 0.81 PTPN22 (0.82) PTPN22KDM4EPLGCFTRHDAC1

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 1/4885P2RY14 3101/4885KDM4E 533/4885

“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.