SCHEMBL7194652

SCHEMBL7194652

O=[N+]([O-])c1ccccc1CSCc1ccc(OP(=O)(O)C(F)F)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 3/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 3/20 0.32
PTPN1 P18031 2/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL7599157 0.87 PTPN1 (0.36) SMN1; SMN2ALDH1A1KDM4EMAPTPTPN1
SCHEMBL7184334 0.85 CYP1A2 (0.43) CCR5KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7188022 0.85 SMN1; SMN2 (0.39) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL7603810 0.84 CCR5 (0.39) CCR5KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7183000 0.84 TP53 (0.38) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL7189759 0.84 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL7599756 0.82 PTPN1 (0.39) SMN1; SMN2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL7187615 0.82 CD274 (0.39) KMT2AMAPK1LMNAPTPN1
SCHEMBL7189856 0.82 PTPN1 (0.39) L3MBTL1PTPN1
SCHEMBL7186867 0.81 PTPN1 (0.32) SMN1; SMN2ALDH1A1KDM4EPTPN1TDP1

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 5 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
EP-1268494-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS Merck Frosst Canada & Co. (CA) 2003-01-02 EP disclosed
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
WO-2001070753-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 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-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO CCR5 3158/4885KMT2A 3568/4885MEN1 4448/4885

“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.