SCHEMBL7205285

SCHEMBL7205285

O=P(O)(Oc1ccc(CCCSc2cccc(Cl)c2)cc1Br)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.41
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
S1PR1 P21453 1/20 0.33
PPARA Q07869 1/20 0.32
DHFR P00374 1/20 0.32
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7188661 0.97 HRH3 (0.40) HRH3MAOAMAOBMEN1KMT2A
SCHEMBL7194611 0.92 HRH3 (0.34) HRH3S1PR1
SCHEMBL7186736 0.90 HDAC3 (0.36) HRH3MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7180256 0.90 HRH3 (0.37) HRH3MAOAMAOBMAPTS1PR1
SCHEMBL7194455 0.89 HRH3 (0.34) HRH3S1PR1
SCHEMBL7190977 0.88 HRH3 (0.37) HRH3MAOAMAOBMEN1KMT2A
SCHEMBL7191439 0.87 HRH3 (0.36) HRH3MAOAMAOBMAPTS1PR1
SCHEMBL7192779 0.87 HDAC3 (0.37) HRH3MAPTTDP1L3MBTL1LMNA
SCHEMBL7188434 0.82 RAB9A (0.41) HRH3MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7200258 0.82 MAPT (0.36) HRH3MAOAMAOBKMT2AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HRH3 4769/4885MAOA 1211/4885MAOB 433/4885

“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.