SCHEMBL4901627

SCHEMBL4901627

CCC(C)OP(=O)(O)C(F)(F)c1ccc(Cn2c(-c3ccc(S(C)(=O)=O)cc3)cn(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 2/20 0.32
PTGS2 P35354 4/20 0.32
PTGS1 P23219 1/20 0.32
ADAMTS4 O75173 1/20 0.31
MMP13 P45452 1/20 0.31
ALDH1A1 P00352 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
GAA P10253 1/20 0.30
RECQL P46063 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
SCHEMBL4900105 0.90 NR1H2 (0.32) PTGS2PTGS1
SCHEMBL4901617 0.87 MKNK1 (0.33) KMT2AMEN1PTGS2GAA
SCHEMBL4901615 0.87 KMT2A (0.38) KMT2AMEN1MAPTPTGS2ALDH1A1
SCHEMBL4903151 0.82 ELANE (0.33) PTGS2
SCHEMBL4899480 0.81 PTGS2 (0.34) PTGS2PTGS1L3MBTL1
SCHEMBL4890502 0.80 PTPN1 (0.41) PTGS2L3MBTL1
SCHEMBL4899485 0.80 PTGS2 (0.33) PTGS2PTGS1L3MBTL1
SCHEMBL4894177 0.79 PTPN1 (0.35) PTGS2PTGS1
SCHEMBL4898600 0.79 PTPN1 (0.39) PTGS2L3MBTL1
SCHEMBL4893823 0.78 PTPN1 (0.41) PTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 US disclosed
WO-2006078698-A1 2-IMIDAZOLONE AND 2-IMIDAZOLIDINONE HETEROCYCLIC INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-07-27 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-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases PPM1B, PPM1D, PTPRS KMT2A 3218/4885MEN1 3587/4885MAPT 2172/4885

“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.