SCHEMBL7189759

SCHEMBL7189759

Cc1ccccc1CSCc1ccc(OP(=O)(O)C(F)F)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MAPT P10636 5/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
PTPN1 P18031 2/20 0.34
GLA P06280 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL7599157 0.90 PTPN1 (0.36) ALDH1A1MAPTHPGDKDM4EPTPN1
SCHEMBL7188022 0.88 SMN1; SMN2 (0.39) ALDH1A1MAPTHPGDLMNAKDM4E
SCHEMBL7185655 0.88 PTPN1 (0.32) ALDH1A1MAPTHPGDPTPN1
SCHEMBL7188752 0.87 PTPN1 (0.34) PTPN1
SCHEMBL7183000 0.87 TP53 (0.38) ALDH1A1MAPTHPGDLMNAPTPN1
SCHEMBL7595556 0.85 TP53 (0.37) ALDH1A1MAPTHPGDLMNAPTPN1
SCHEMBL7599756 0.85 PTPN1 (0.39) ALDH1A1MAPTLMNAPTPN1CYP2C19
SCHEMBL7189856 0.85 PTPN1 (0.39) THRATHRBPTPN1FFAR4
SCHEMBL7187615 0.85 CD274 (0.39) LMNAPTPN1FFAR4KMT2ANPSR1
SCHEMBL7188323 0.85 ALDH1A1 (0.43) ALDH1A1MAPTHPGDLMNAKDM4E

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 312/4885MAPT 4057/4885HPGD 3572/4885

“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.