SCHEMBL7187616

SCHEMBL7187616

CSCc1ccc(OP(=O)(O)C(F)F)c(Br)c1.[Na].[Na]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
MAPT P10636 2/20 0.33
HDAC1 Q13547 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 4/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 2/20 0.32
GFER P55789 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2D6 P10635 1/20 0.31
L3MBTL1 Q9Y468 1/20 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) LMNAMAPTHPGDALDH1A1CYP1A2
SCHEMBL7193736 0.85 PTPN1 (0.38) MAPTALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL7594628 0.85 ALDH1A1 (0.35) LMNAS1PR2S1PR1S1PR3LPAR2
SCHEMBL7188055 0.84 ALDH1A1 (0.33) LMNAS1PR2S1PR1S1PR3LPAR2
SCHEMBL7599756 0.84 PTPN1 (0.39) LMNAMAPTALDH1A1CYP2C19L3MBTL1
SCHEMBL7595556 0.84 TP53 (0.37) LMNAMAPTHPGDTSHRALDH1A1
SCHEMBL5390873 0.84 NPC1 (0.35) S1PR2S1PR1S1PR3LPAR2MAPT
SCHEMBL7598907 0.83 MAOB (0.41) LMNAMAPTHPGDTSHRALDH1A1
SCHEMBL7592992 0.83 LMNA (0.38) LMNAMAPTHDAC1ALDH1A1CYP1A2
SCHEMBL7188479 0.83 MAOA (0.41) LMNAMAPTHPGDTSHRALDH1A1

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 LMNA 4857/4885S1PR2 3280/4885S1PR1 2569/4885

“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.