SCHEMBL7202543

SCHEMBL7202543

O=P(O)(Oc1ccc(CCCSc2ncc[nH]2)cc1Br)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
HRH3 Q9Y5N1 6/20 0.34
GRIN2B Q13224 2/20 0.33
GRIN2A Q12879 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA1D P25100 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HDAC1 Q13547 1/20 0.31
KDM6B O15054 1/20 0.30
KDM4A O75164 1/20 0.30
KDM4D Q6B0I6 1/20 0.30
KDM3B Q7LBC6 1/20 0.30
HIF1AN Q9NWT6 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30

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
SCHEMBL7202619 0.97 FDPS (0.41) FDPSHRH3GRIN2BGRIN2AADRA2A
SCHEMBL7188434 0.84 RAB9A (0.41) HRH3ALDH1A1
SCHEMBL7188757 0.82 GRM2 (0.37) ALDH1A1
SCHEMBL7194590 0.81 RAB9A (0.40) HRH3ALDH1A1
SCHEMBL7180256 0.80 HRH3 (0.37) HRH3ADRA2AADRA1D
SCHEMBL7197766 0.80 ALDH1A1 (0.42) HRH3ALDH1A1
SCHEMBL7183056 0.80 GRM2 (0.38) ALDH1A1
SCHEMBL7194611 0.78 HRH3 (0.34) HRH3
SCHEMBL7186736 0.78 HDAC3 (0.36) FDPSHRH3ALDH1A1HDAC1
SCHEMBL7198384 0.78 AR (0.37) ALDH1A1

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 FDPS 451/4885HRH3 4769/4885GRIN2B 2854/4885

“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.