SCHEMBL7598583

SCHEMBL7598583

O=P(O)(Oc1ccc(CSCc2ccc(Cl)cc2Cl)cc1Br)C(F)F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
GGPS1 O95749 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
IDO1 P14902 7/20 0.36
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX1 P07099 2/20 0.34
HTT P42858 3/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARA Q07869 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL7184220 0.92 PPARA (0.33) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL7187756 0.91 LMNA (0.37) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL7183000 0.88 TP53 (0.38) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL7592992 0.88 LMNA (0.38) CYP1A2CYP2C9CYP2C19ALDH1A1POLB
SCHEMBL7194557 0.86 TP53 (0.42) CYP3A4ALDH1A1POLBIDO1MAPT
SCHEMBL7183229 0.86 FDPS (0.36) CYP1A2CYP3A4CYP2C9CYP2C19IDO1
SCHEMBL7596788 0.83 LMNA (0.35) MAPK1ALDH1A1POLBMEN1KMT2A
SCHEMBL7599157 0.83 PTPN1 (0.36) ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL7187521 0.82 PKM (0.33) CYP1A2CYP2C9CYP2C19ALDH1A1POLB
SCHEMBL7695855 0.82 PTPN1 (0.32) MAPTLMNA

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 CYP1A2 2543/4885CYP3A4 3364/4885CYP2C9 904/4885

“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.