SCHEMBL7593531

SCHEMBL7593531

COc1cccc(CSCc2ccc(OP(=O)(O)C(F)F)c(Br)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HDAC1 Q13547 1/20 0.38
PPARA Q07869 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
DAO P14920 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
LRRK2 Q5S007 1/20 0.36
MAPT P10636 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CRHBP P24387 1/20 0.36
CYP2C19 P33261 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL7188323 0.87 ALDH1A1 (0.43) LMNAHPGDDAOLRRK2MAPT
SCHEMBL7595446 0.87 KMT2A (0.38) LMNAMAPTALDH1A1
SCHEMBL7189868 0.86 ALDH1A1 (0.41) CYP1A2LMNAHPGDDAOTSHR
SCHEMBL7599756 0.85 PTPN1 (0.39) PPARALMNAMAPTCYP2C19ALDH1A1
SCHEMBL7194686 0.85 PTPN1 (0.33) ALDH1A1
SCHEMBL7194557 0.85 TP53 (0.42) PPARALMNAHPGDTSHRMAPT
SCHEMBL7593824 0.84 FTO (0.37) LMNADAO
SCHEMBL7603810 0.83 CCR5 (0.39) LMNATSHRMAPK1MAPTNPSR1
SCHEMBL7595556 0.83 TP53 (0.37) LMNAHPGDTSHRMAPTALDH1A1
SCHEMBL7188041 0.83 ACP3 (0.44) PPARADAO

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 2543/4885HTR2A 3553/4885HTR2C 3414/4885

“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.