SCHEMBL7180342

SCHEMBL7180342

O=P(O)(Oc1ccc(CCCSc2ccc3ccccc3n2)cc1Br)C(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 7/20 0.39
RXFP1 Q9HBX9 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MAPK10 P53779 2/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 2/20 0.34
THRB P10828 1/20 0.33
NOD2 Q9HC29 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
OPRM1 P35372 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL7188057 0.97 PRNP (0.39) PRNPRXFP1NPSR1MAPK10KDM4E
SCHEMBL7596364 0.89 PRNP (0.39) PRNPRXFP1NPSR1MAPK10KDM4E
SCHEMBL7188757 0.85 GRM2 (0.37) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL7183056 0.82 GRM2 (0.38) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL7188434 0.81 RAB9A (0.41) NPSR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL7594314 0.80 CYSLTR1 (0.35) PRNPRXFP1NPSR1MAPK10KDM4E
SCHEMBL7193730 0.80 MAOB (0.56) NPSR1ALDH1A1PKMLMNASMN1; SMN2
SCHEMBL7180337 0.79 PTPN1 (0.43) PRNPRXFP1NPSR1MAPK10KDM4E
SCHEMBL7180256 0.79 HRH3 (0.37) RXFP1MAPTHTT
SCHEMBL7194590 0.78 RAB9A (0.40) NPSR1ALDH1A1KMT2AMEN1MAPT

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 PRNP 2012/4885RXFP1 3808/4885NPSR1 2167/4885

“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.