SCHEMBL7599756

SCHEMBL7599756

O=P(O)(Oc1ccc(CSCc2ccccc2)cc1Br)C(F)F.[Na].[Na]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
HTT P42858 1/20 0.35
PTPN2 P17706 1/20 0.34
MAPT P10636 2/20 0.34
PPARA Q07869 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA2 P00918 2/20 0.33
ANPEP P15144 1/20 0.33
LAP3 P28838 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL7594345 0.93 PTPN1 (0.44) PTPN1PTPN2PPARA
SCHEMBL7183011 0.92 PTPN1 (0.38) PTPN1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL7193736 0.92 PTPN1 (0.38) PTPN1MAPTALDH1A1CYP2C19
SCHEMBL7192790 0.90 CCR5 (0.40) PTPN1PTPN2PPARALMNACYP2C19
SCHEMBL7595446 0.89 KMT2A (0.38) PTPN1SMN1; SMN2HTTMAPTCA1
SCHEMBL7592992 0.89 LMNA (0.38) PTPN1SMN1; SMN2ALPGHTTMAPT
SCHEMBL7187791 0.89 SMN1; SMN2 (0.39) PTPN1SMN1; SMN2ALPLALPIALPG
SCHEMBL7593824 0.88 FTO (0.37) PTPN1SMN1; SMN2HTTCA2CA12
SCHEMBL7599157 0.88 PTPN1 (0.36) PTPN1SMN1; SMN2HTTMAPTALDH1A1
SCHEMBL7188724 0.88 PTPN1 (0.42) PTPN1SMN1; SMN2MAPTALDH1A1LMNA

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 PTPN1 13/4885SMN1; SMN2 3541/4885ALPL 2571/4885

“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.