SCHEMBL7598916

SCHEMBL7598916

Cc1cc(C)c(CSCc2ccc(OP(=O)(O)C(F)F)c(Br)c2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 2/20 0.31
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
SCHEMBL7595556 0.89 TP53 (0.37) PTPN1ABL1RIN1LMNAMAPT
SCHEMBL7188323 0.86 ALDH1A1 (0.43) ABL1RIN1LMNAMAPTHPGD
SCHEMBL7189759 0.84 ALDH1A1 (0.40) PTPN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7188319 0.83 PTPN1 (0.33) PTPN1LMNAMAPTALDH1A1
SCHEMBL7183011 0.83 PTPN1 (0.38) PTPN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7193736 0.83 PTPN1 (0.38) PTPN1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL7193735 0.83 PTPN1 (0.35) PTPN1S1PR2S1PR1S1PR3LPAR2
SCHEMBL7596788 0.83 LMNA (0.35) PTPN1LMNAHPGDALDH1A1
SCHEMBL7598764 0.82 PTPN1 (0.37) PTPN1
SCHEMBL7596322 0.82 PTPN1 (0.35) PTPN1CYP1A2CYP2C9CYP2C19MAPT

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 PTPN1 13/4885CYP1A2 2543/4885CYP3A4 3364/4885

“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.