SCHEMBL7598358

SCHEMBL7598358

N#Cc1ccc(CSCc2ccc(OP(=O)(O)C(F)F)c(Br)c2)cc1.[Na].[Na]

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
PTPN1 P18031 4/20 0.35
VEGFA P15692 2/20 0.35
EPAS1 Q99814 2/20 0.35
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
CCR5 P51681 1/20 0.34
CYP19A1 P11511 5/20 0.33
IDO1 P14902 2/20 0.33
STS P08842 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LRRK2 Q5S007 1/20 0.32
ACE P12821 1/20 0.32

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
SCHEMBL7198083 0.89 GLA (0.39) HTTEPAS1CCR5ALDH1A1LRRK2
SCHEMBL7183011 0.88 PTPN1 (0.38) PTPN1MAOBMAOAALDH1A1
SCHEMBL7193736 0.88 PTPN1 (0.38) PTPN1EPAS1MAOBMAOACCR5
SCHEMBL7599756 0.86 PTPN1 (0.39) HTTPTPN1ALDH1A1
SCHEMBL7592992 0.85 LMNA (0.38) HTTPTPN1EPAS1ALDH1A1
SCHEMBL7188724 0.84 PTPN1 (0.42) PTPN1MAOBMAOAALDH1A1
SCHEMBL7598764 0.84 PTPN1 (0.37) PTPN1
SCHEMBL7595556 0.84 TP53 (0.37) PTPN1ALDH1A1
SCHEMBL7195289 0.83 HTT (0.40) HTTPTPN1ALDH1A1
SCHEMBL7193735 0.83 PTPN1 (0.35) PTPN1

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 HTT 1549/4885PTPN1 13/4885VEGFA 4449/4885

“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.