SCHEMBL7598945

SCHEMBL7598945

N#CCCCCCCSCc1ccc(OP(=O)(O)C(F)F)c(Br)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
POLB P06746 1/20 0.31
PTPN1 P18031 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
SCHEMBL7659071 0.88 S1PR2 (0.34) S1PR2S1PR1S1PR3LPAR2PTPN1
SCHEMBL7193743 0.87 S1PR2 (0.44) S1PR2S1PR1S1PR3LPAR2
SCHEMBL7594619 0.83 PTPN1 (0.35) S1PR2S1PR1S1PR3LPAR2PTPN1
SCHEMBL7185385 0.82 S1PR2 (0.31) ALDH1A1S1PR2S1PR1S1PR3LPAR2
SCHEMBL7187791 0.81 SMN1; SMN2 (0.39) ALDH1A1PTPN1
SCHEMBL7598358 0.81 HTT (0.40) ALDH1A1PTPN1
SCHEMBL7188055 0.81 ALDH1A1 (0.33) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL7598719 0.80 S1PR2 (0.34) ALDH1A1S1PR2S1PR1S1PR3LPAR2
SCHEMBL7198083 0.79 GLA (0.39) ALDH1A1TSHR
SCHEMBL7193736 0.79 PTPN1 (0.38) ALDH1A1POLBPTPN1

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 ALDH1A1 312/4885TSHR 1867/4885MAPK1 324/4885

“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.