SCHEMBL7064326

SCHEMBL7064326

CCCCNC(=O)c1ccc(C(=O)O)c(N(C(=O)C(=O)O)c2cccc3ccc(O)cc23)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 14/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TRPV1 Q8NER1 2/20 0.42
▸ PTPRA P18433 3/20 0.41
▸ PTPRF P10586 1/20 0.41
▸ BCL2 P10415 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL7064590 0.81 PTPN1 (1.00) PTPN1MCL1
SCHEMBL7061328 0.77 PTPN1 (1.00) PTPN1MCL1
SCHEMBL7064523 0.76 PTPN1 (0.65) PTPN1TRPV1MCL1
SCHEMBL7064511 0.74 PTPN1 (1.00) PTPN1MCL1
SCHEMBL161905 0.70 SMN1; SMN2 (0.81) SMN1; SMN2BCL2MCL1HDAC3HDAC1
SCHEMBL7064890 0.67 PTPN1 (1.00) PTPN1
SCHEMBL14599480 0.67 SMN1; SMN2 (0.54) SMN1; SMN2BCL2MCL1HDAC3HDAC1
SCHEMBL6358652 0.67 HDAC3 (0.74) SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL13577926 0.67 SMN1; SMN2 (0.73) SMN1; SMN2HDAC1HDAC2
SCHEMBL31047582 0.66 NAAA (0.62) SMN1; SMN2HDAC3HDAC1HDAC2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313696-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-05-28 — — EP claimed
US-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors ABBOTT LABORATORIES 2002-03-21 — — US claimed
WO-2002018323-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 — — WO claimed
EP-1313696-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-05-28 — — EP disclosed
US-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors ABBOTT LABORATORIES 2002-03-21 — — US disclosed
WO-2002018323-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 — — WO 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-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors PPM1A, PTPRO, PTP4A1 PTPN1 10/4885SMN1; SMN2 2581/4885TRPV1 3610/4885

“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.

Send feedback