SCHEMBL7188306

SCHEMBL7188306

O=P(O)(Oc1ccc(CSc2cccc(Br)c2)cc1Br)C(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
MAOA P21397 3/20 0.36
ALDH1A1 P00352 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33
MAOB P27338 2/20 0.33
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
GFER P55789 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
SCHEMBL7190977 0.89 HRH3 (0.37) MAPTHTTMAOAHRH3MAOB
SCHEMBL7598907 0.87 MAOB (0.41) MAPTHTTMAOAALDH1A1MAOB
SCHEMBL7595446 0.87 KMT2A (0.38) MAPTHTTCA1ALDH1A1HRH3
SCHEMBL7180256 0.87 HRH3 (0.37) MAPTHTTCA1CA2CA4
SCHEMBL7191439 0.86 HRH3 (0.36) MAPTHTTCA1CA2CA4
SCHEMBL7188479 0.85 MAOA (0.41) MAPTHTTMAOAALDH1A1MAOB
SCHEMBL7186698 0.84 RHEB (0.33) MAPTMAOAALDH1A1HRH3MAOB
SCHEMBL7197820 0.84 MAOA (0.40) MAPTMAOAALDH1A1MAOBKMT2A
SCHEMBL7199444 0.84 LRRK2 (0.36) ALDH1A1KMT2ALMNAHPGDGFER
SCHEMBL7182947 0.84 S1PR1 (0.36) MAPTHTTMAOAALDH1A1MAOB

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 MAPT 4057/4885HTT 1549/4885CA1 4360/4885

“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.