SCHEMBL7065886

SCHEMBL7065886

CCCCCNCC(O)Cc1ccc(C(=O)C(=O)Nc2ccccc2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 6/20 0.51
▸ PLK3 Q9H4B4 3/20 0.51
▸ PTPN1 P18031 3/20 0.44
▸ PTPN2 P17706 1/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ TRPA1 O75762 1/20 0.43
▸ TRPM2 O94759 1/20 0.43
▸ PLA2G1B P04054 1/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ CYSLTR2 Q9NS75 1/20 0.43
▸ CYSLTR1 Q9Y271 1/20 0.43
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ AGTR1 P30556 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
SCHEMBL7064393 0.74 PTPN1 (0.67) PTPN1PTPN2PTPRA
SCHEMBL11922774 0.72 SIGMAR1 (0.49) CYP2C9TRPA1CYP1A2CYP2C19MEN1
SCHEMBL28808948 0.69 PLK1 (0.97) PLK1PLK3TRPA1TRPM2PLA2G1B
SCHEMBL8556765 0.68 L3MBTL1 (0.68) PLK1PLK3PTPN1HPGDCYP2C9
SCHEMBL1464667 0.67 PLK1 (0.90) PLK1PLK3MEN1NPC1RAB9A
SCHEMBL466141 0.67 PLK1 (0.63) PLK1PLK3HPGDCYP2C9RAB9A
SCHEMBL23636024 0.67 SIGMAR1 (0.51) TRPA1CYP1A2MEN1KMT2ASMN1; SMN2
Phthalic Acid SCHEMBL18834825 0.67 ALDH1A1 (0.55) MEN1KMT2AALDH1A1
SCHEMBL11430175 0.66 PLK1 (0.66) PLK1PLK3HPGDCYP2C9RAB9A
SCHEMBL11483067 0.66 PLK1 (0.66) PLK1PLK3HPGDCYP2C9RAB9A

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 3 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 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 PLK1 2169/4885PLK3 2851/4885PTPN1 10/4885

“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.

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