SCHEMBL7591806

SCHEMBL7591806

O=P(Cc1ccc(CSCc2ccc(-c3ccc(-c4ccccc4)c(P(=O)(O)O)c3)cc2)cc1)(OF)OF

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 2/20 0.38
▸ PTPN1 P18031 5/20 0.35
▸ PTPN5 P54829 3/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ PTGER1 P34995 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ PTGER3 P43115 1/20 0.33
▸ PTGER2 P43116 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ACP3 P15309 1/20 0.32
▸ GSTP1 P09211 1/20 0.32
▸ ALPL P05186 1/20 0.31
▸ ALPI P09923 1/20 0.31
▸ ALPG P10696 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7192731 0.77 PTPN1 (0.34) PTPN1POLB
SCHEMBL7189808 0.75 KDM4E (0.37) PTPN1S1PR1KDM4EPOLBHTT
SCHEMBL7198006 0.72 PTPN1 (0.42) PTPN1PTPN5PTGER1PTGER4PTGER3
SCHEMBL7660739 0.70 PGK1 (0.59) PTPN1PTPN5
SCHEMBL7591720 0.69 PGK1 (0.57) PTPN1PTPN5
SCHEMBL18526934 0.67 HPGD (0.48) HTT
SCHEMBL7183073 0.66 PGK1 (0.40) PTPN1
SCHEMBL7179735 0.66 PTPN1 (0.56) PTPN1
SCHEMBL8825508 0.65 TAAR1 (0.54) PTPN1HTT
SCHEMBL5163005 0.64 PTPN5 (0.57) PTPN1PTPN5

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
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 — — US claimed
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 — — US disclosed
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors MERCK FROSST CANADA LTD. (CA) 2002-07-11 — — 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-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO GGPS1 1722/4885PTPN1 13/4885PTPN5 16/4885

“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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