SCHEMBL7598718

SCHEMBL7598718

O=c1[nH]c(SCCCCc2ccc(OP(=O)(O)C(F)F)c(Br)c2)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.52
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 2/20 0.45
PKM P14618 1/20 0.45
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP9 P14780 1/20 0.41

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
SCHEMBL7193730 0.97 MAOB (0.56) MAOBLMNAALDH1A1NPSR1MAPK1
SCHEMBL7193512 0.89 MAPK1 (0.58) MAOBLMNAALDH1A1MAPK1
SCHEMBL7598714 0.81 MAOB (0.56) MAOBLMNAALDH1A1NPSR1MAPK1
SCHEMBL7188057 0.80 PRNP (0.39) LMNAALDH1A1NPSR1PKMSMN1; SMN2
SCHEMBL7198384 0.79 AR (0.37) LMNAALDH1A1NPSR1MAPK1SMN1; SMN2
SCHEMBL7193724 0.78 MAOB (0.60) MAOBLMNAALDH1A1NPSR1MAPK1
SCHEMBL7202619 0.78 FDPS (0.41) ALDH1A1
SCHEMBL7183056 0.78 GRM2 (0.38) LMNAALDH1A1PKMPOLBSMN1; SMN2
SCHEMBL7194590 0.78 RAB9A (0.40) LMNAALDH1A1NPSR1MAPK1POLB
SCHEMBL7180342 0.77 PRNP (0.39) LMNAALDH1A1NPSR1PKMSMN1; SMN2

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 433/4885LMNA 4857/4885ALDH1A1 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.