SCHEMBL7599328

SCHEMBL7599328

CC(SCCc1ccccc1)c1ccc(OP(=O)(O)C(F)F)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.32
ACP3 P15309 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL7592977 0.94 HTR2A (0.33) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL7592249 0.82 ALDH1A1 (0.35) ALDH1A1KMT2AL3MBTL1GAAPKM
SCHEMBL7599323 0.77 PTPN1 (0.49)
SCHEMBL7187791 0.76 SMN1; SMN2 (0.39) ALDH1A1LMNASMN1; SMN2
SCHEMBL7204587 0.75 PTPN1 (0.35) PPARAALDH1A1L3MBTL1GAAPKM
SCHEMBL7599756 0.74 PTPN1 (0.39) PPARAALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL5414183 0.74 TSHR (0.38) PPARATSHRL3MBTL1LMNASMN1; SMN2
SCHEMBL7597986 0.74 PTPN1 (0.35) PPARAACP3
SCHEMBL7598030 0.73 PTPN1 (0.37) PPARGPPARAALDH1A1TSHRL3MBTL1
SCHEMBL5399820 0.72 ALDH1A1 (0.35) ALDH1A1KMT2AGAAPKMLMNA

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 PPARG 666/4885PPARA 531/4885ALDH1A1 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.