SCHEMBL7189877

SCHEMBL7189877

CC(=O)Nc1ccc(SCc2ccc(OP(=O)(O)C(F)F)c(Br)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.37
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
UBE2N P61088 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
SCHEMBL7592741 0.90 MAPT (0.40) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL7180230 0.89 RAB9A (0.41) MEN1KMT2AMAPK1SMN1; SMN2GAA
SCHEMBL7193744 0.88 RAB9A (0.40) MEN1KMT2AMAPK1SMN1; SMN2GAA
SCHEMBL7188479 0.84 MAOA (0.41) KMT2AMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL7598907 0.84 MAOB (0.41) KMT2ASMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL7197820 0.83 MAOA (0.40) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL7182947 0.81 S1PR1 (0.36) SMN1; SMN2MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL7594628 0.80 ALDH1A1 (0.35) KMT2ASMN1; SMN2MAPTALDH1A1CYP1A2
SCHEMBL7186698 0.79 RHEB (0.33) KMT2AMAPTALDH1A1LMNA
SCHEMBL7188306 0.79 MAPT (0.40) MEN1KMT2AMAPTALDH1A1LMNA

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 MEN1 4448/4885KMT2A 3568/4885MAPK1 324/4885

“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.