SCHEMBL6860700

SCHEMBL6860700

NC(=O)NCc1nc(-c2ccc(F)cc2)c(-c2ccccc2S(N)(=O)=O)o1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.41
PTGS2 P35354 4/20 0.41
NR4A2 P43354 7/20 0.41
CA9 Q16790 1/20 0.38
RXRA P19793 4/20 0.38
RXRB P28702 3/20 0.38
RXRG P48443 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
SCN9A Q15858 2/20 0.37
USP1 O94782 1/20 0.37
USP19 O94966 1/20 0.37
UCHL3 P15374 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
HDAC8 Q9BY41 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
SCHEMBL8607286 0.90 PTGS1 (0.40) PTGS1PTGS2NR4A2CA9RXRA
SCHEMBL8556142 0.85 PTGS2 (0.46) PTGS1PTGS2NR4A2CA9RXRA
SCHEMBL6308687 0.84 NR4A2 (0.44) PTGS1PTGS2NR4A2CA9RXRA
SCHEMBL6860698 0.83 PTGS2 (0.59) PTGS1PTGS2NR4A2CA9
SCHEMBL8558402 0.83 PTGS2 (0.44) PTGS1PTGS2NR4A2RXRARXRB
SCHEMBL6308385 0.83 PTGS1 (0.41) PTGS1PTGS2NR4A2CA9RXRA
SCHEMBL8561129 0.81 PTGS2 (0.44) PTGS1PTGS2NR4A2CA9RXRA
SCHEMBL8558731 0.81 PTGS2 (0.47) PTGS1PTGS2NR4A2RXRARXRB
SCHEMBL8558075 0.80 PTGS2 (0.43) PTGS1PTGS2NR4A2RXRARXRB
SCHEMBL8604310 0.80 RXRA (0.43) NR4A2CA9RXRARXRBRXRG

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-20040248943-A9 Pyrazole substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors PHARMACIA CORPORATION 2004-12-09 US disclosed
US-20030073722-A1 Pyrazole substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors PHARMACIA CORPORATION 2003-04-17 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 (2 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-20040248943-A9 Pyrazole substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 PTGS1 9/4885PTGS2 5/4885NR4A2 1141/4885
US-20030073722-A1 Pyrazole substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 PTGS1 9/4885PTGS2 5/4885NR4A2 1141/4885

“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.