SCHEMBL13659060

SCHEMBL13659060

CS(=O)(=O)Nc1ccc(N=O)cc1Oc1ccccc1C(=O)CCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.47
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 4/20 0.39
HSD17B10 Q99714 3/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 3/20 0.39
MAPK1 P28482 2/20 0.39
CYP19A1 P11511 2/20 0.39
MLNR O43193 1/20 0.39
LMNA P02545 1/20 0.39
MMP1 P03956 1/20 0.39
MPO P05164 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL13659058 0.82 PTGS1 (0.42) KDM4EKMT2AHSD17B10PTGS1PTGS2
SCHEMBL13659057 0.82 PTGS1 (0.42) KDM4EKMT2AHSD17B10PTGS1PTGS2
SCHEMBL13652887 0.82 CYP19A1 (0.63) KDM4EKMT2AHSD17B10PTGS1PTGS2
SCHEMBL13659014 0.77 PTGS1 (0.61) KDM4EKMT2AHSD17B10PTGS1PTGS2
SCHEMBL13659061 0.76 HSD17B10 (0.34) CCR2KDM4EKMT2AHSD17B10PTGS1
SCHEMBL28202415 0.67 CTNNB1 (0.59) KMT2AHSD17B10HPGDSMN1; SMN2MEN1
SCHEMBL30609633 0.66 CTNNB1 (0.63) KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL5081630 0.66 CTNNB1 (0.63) KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL6378390 0.65 PTGS1 (0.56) CCR2KDM4EKMT2AHSD17B10PTGS1
SCHEMBL13652888 0.64 CYP19A1 (0.67) KDM4EKMT2AHSD17B10PTGS1PTGS2

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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES CCR2 442/4885KDM4E 4225/4885KMT2A 4832/4885

“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.