SCHEMBL7201253

SCHEMBL7201253

Cc1nc(CSCc2ccc(OP(=O)(O)C(F)F)c(Br)c2)cs1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.35
SLC6A3 Q01959 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.32
SLC5A7 Q9GZV3 1/20 0.32
METAP2 P50579 1/20 0.32
GAA P10253 1/20 0.31
POLB P06746 2/20 0.31
PTPN1 P18031 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7201250 0.90 KMT2A (0.38) KMT2AMEN1PKMSLC6A3MAPT
SCHEMBL7595556 0.82 TP53 (0.37) KMT2AMEN1MAPTLMNAHPGD
SCHEMBL7188323 0.79 ALDH1A1 (0.43) KMT2AMEN1MAPTLMNAHPGD
SCHEMBL7195289 0.79 HTT (0.40) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL7193736 0.79 PTPN1 (0.38) KMT2APKMMAPTALDH1A1CYP1A2
SCHEMBL7193735 0.79 PTPN1 (0.35) PTPN1
SCHEMBL7183011 0.79 PTPN1 (0.38) KMT2AMEN1MAPTLMNAHPGD
SCHEMBL7594131 0.79 PTPN1 (0.39) KMT2AMEN1MAPTPTPN1SMN1; SMN2
SCHEMBL7598916 0.79 PTPN1 (0.33) MAPTLMNAHPGDTSHRALDH1A1
SCHEMBL7594314 0.78 CYSLTR1 (0.35) KMT2AMEN1PKMMAPTLMNA

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 5 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
EP-1268494-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS Merck Frosst Canada & Co. (CA) 2003-01-02 EP disclosed
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
WO-2001070753-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 WO 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 KMT2A 3568/4885MEN1 4448/4885PKM 2221/4885

“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.