SCHEMBL13659014

SCHEMBL13659014

CS(=O)(=O)Nc1ccc(N=O)cc1Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 11/20 0.61
PTGS2 P35354 9/20 0.61
CYP19A1 P11511 3/20 0.61
ADORA3 P0DMS8 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
MLNR O43193 1/20 0.61
LMNA P02545 1/20 0.61
MMP1 P03956 1/20 0.61
MPO P05164 1/20 0.61
CYP1A2 P05177 1/20 0.61
GLA P06280 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
HPGD P15428 1/20 0.61
TSHR P16473 1/20 0.61
TBXA2R P21731 1/20 0.61
SLC6A2 P23975 1/20 0.61
APEX1 P27695 1/20 0.61

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
SCHEMBL13524349 0.81 PTGS1 (0.65) PTGS1PTGS2CYP19A1ADORA3KDM4E
SCHEMBL13659058 0.80 PTGS1 (0.42) PTGS1PTGS2CYP19A1ADORA3KDM4E
SCHEMBL13659057 0.80 PTGS1 (0.42) PTGS1PTGS2CYP19A1ADORA3KDM4E
SCHEMBL14701620 0.80 PTGS1 (0.64) PTGS1PTGS2CYP19A1ADORA3KDM4E
SCHEMBL8719438 0.79 PTGS2 (0.68) PTGS1PTGS2CYP19A1ADORA3KDM4E
SCHEMBL10337745 0.78 PTGS1 (0.61) PTGS1PTGS2CYP19A1ADORA3KDM4E
SCHEMBL12998566 0.78 PTGS1 (0.61) PTGS1PTGS2CYP19A1ADORA3KDM4E
SCHEMBL13659060 0.77 CCR2 (0.47) PTGS1PTGS2CYP19A1ADORA3KDM4E
SCHEMBL30583076 0.77 PTGS1 (0.60) PTGS1PTGS2CYP19A1ADORA3KDM4E
SCHEMBL9657535 0.77 PTGS1 (0.60) PTGS1PTGS2CYP19A1ADORA3KDM4E

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 PTGS1 6/4885PTGS2 13/4885CYP19A1 2690/4885

“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.