SCHEMBL7592123

SCHEMBL7592123

CC(Cc1ccc(Br)cc1)SCc1ccc(OP(=O)(O)C(F)F)c(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.36
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
LPAR2 Q9HBW0 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
SCHEMBL7598595 0.84 EPHX1 (0.33) EPHX1
SCHEMBL7183011 0.83 PTPN1 (0.38) EPHX1LMNAHPGDRAB9ASMN1; SMN2
SCHEMBL7598907 0.81 MAOB (0.41) NPC1LMNAHPGDRAB9ASMN1; SMN2
SCHEMBL7592249 0.80 ALDH1A1 (0.35) EPHX1LMNAKDM4EALDH1A1TDP1
SCHEMBL7187616 0.80 LMNA (0.33) NPC1LMNAHPGDRAB9ASMN1; SMN2
SCHEMBL7188724 0.80 PTPN1 (0.42) EPHX1LMNAHPGDRAB9ASMN1; SMN2
SCHEMBL7594149 0.80 PPARD (0.34) EPHX1ALDH1A1
SCHEMBL7597986 0.79 PTPN1 (0.35) EPHX1
SCHEMBL7193735 0.78 PTPN1 (0.35) S1PR2S1PR1S1PR3LPAR2
SCHEMBL7594628 0.78 ALDH1A1 (0.35) LMNAHPGDSMN1; SMN2HDAC1HDAC6

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 2 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 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 EPHX1 685/4885NPC1 2966/4885LMNA 4857/4885

“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.