SCHEMBL7598907

SCHEMBL7598907

O=P(O)(Oc1ccc(CSc2ccc(Br)cc2)cc1Br)C(F)F.[Na].[Na]

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.41
MAOA P21397 2/20 0.41
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTT P42858 1/20 0.32
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
SCHEMBL7188479 0.93 MAOA (0.41) MAOBMAOAALDH1A1MAPTLMNA
SCHEMBL7197820 0.90 MAOA (0.40) MAOBMAOAALDH1A1SMN1; SMN2MAPT
SCHEMBL7182947 0.89 S1PR1 (0.36) MAOBMAOAALDH1A1SMN1; SMN2MAPT
SCHEMBL7183011 0.88 PTPN1 (0.38) MAOBMAOAALDH1A1SMN1; SMN2MAPT
SCHEMBL7188306 0.87 MAPT (0.40) MAOBMAOAALDH1A1MAPTLMNA
SCHEMBL7200258 0.86 MAPT (0.36) MAOBMAOAALDH1A1SMN1; SMN2MAPT
SCHEMBL7188724 0.85 PTPN1 (0.42) MAOBMAOAALDH1A1SMN1; SMN2MAPT
SCHEMBL7186698 0.85 RHEB (0.33) MAOBMAOAALDH1A1MAPTLMNA
SCHEMBL7189877 0.84 MEN1 (0.41) ALDH1A1SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL7190977 0.83 HRH3 (0.37) MAOBMAOAMAPTLMNAKMT2A

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 3 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
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

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 MAOB 433/4885MAOA 1211/4885ALDH1A1 312/4885

“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.