SCHEMBL7188055

SCHEMBL7188055

CC(C)CCSCc1ccc(OP(=O)(O)C(F)F)c(Br)c1.[Na].[Na]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
PTPN1 P18031 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GFER P55789 1/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
MMP3 P08254 4/20 0.31
MMP2 P08253 3/20 0.31
MMP9 P14780 3/20 0.31
MMP13 P45452 3/20 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
SCHEMBL7183011 0.85 PTPN1 (0.38) ALDH1A1KMT2AMEN1PTPN1HPGD
SCHEMBL7193736 0.85 PTPN1 (0.38) ALDH1A1KMT2APTPN1MAPT
SCHEMBL7187616 0.84 LMNA (0.33) ALDH1A1KMT2AHPGDSMN1; SMN2GFER
SCHEMBL7193743 0.84 S1PR2 (0.44) S1PR2S1PR1S1PR3LPAR2
SCHEMBL7599756 0.84 PTPN1 (0.39) ALDH1A1PTPN1SMN1; SMN2LMNAMAPT
SCHEMBL7595556 0.84 TP53 (0.37) ALDH1A1KMT2AMEN1PTPN1HPGD
SCHEMBL7185385 0.84 S1PR2 (0.31) ALDH1A1KMT2AMEN1PTPN1SMN1; SMN2
SCHEMBL7594283 0.84 ALDH1A1 (0.34) ALDH1A1KMT2APTPN1HPGDSMN1; SMN2
SCHEMBL7659071 0.83 S1PR2 (0.34) PTPN1S1PR2S1PR1S1PR3LPAR2
SCHEMBL7592992 0.83 LMNA (0.38) ALDH1A1KMT2AMEN1PTPN1SMN1; SMN2

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 ALDH1A1 312/4885KMT2A 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.