SCHEMBL6704623

SCHEMBL6704623

CC[C@H]1OC(=O)C(Oc2ccc(F)c(F)c2)=C1c1cc(C)ccc1S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.39
PTGS1 P23219 1/20 0.39
SOS1 Q07889 1/20 0.34
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BRD4 O60885 1/20 0.30
EPAS1 Q99814 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
SCHEMBL6846585 0.85 PTGS2 (0.44) PTGS2PTGS1SOS1L3MBTL1EPAS1
SCHEMBL6812110 0.83 PTGS2 (0.35) PTGS2PTGS1BRD4
SCHEMBL5377415 0.74 PTGS2 (0.40) PTGS2PTGS1BRD4
SCHEMBL6734556 0.71 NR3C1 (0.44) PTGS2PTGS1EPAS1
SCHEMBL6844095 0.70 MEN1 (0.39) PTGS2PTGS1HTTL3MBTL1BRD4
SCHEMBL7612387 0.70 PTGS2 (0.39) PTGS2L3MBTL1
SCHEMBL8195201 0.69 PTGS2 (0.44) PTGS2PTGS1EPAS1
SCHEMBL6838945 0.69 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL8312284 0.67 PTGS2 (0.59) PTGS2PTGS1SOS1
SCHEMBL7617482 0.66 PTGS1 (0.44) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235867-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2004-11-25 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-20040235867-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 PTGS2 983/4885PTGS1 791/4885SOS1 1044/4885

“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.