SCHEMBL6812110

SCHEMBL6812110

CCCC1OC(=O)C(Oc2ccc(F)cc2)=C1c1cc(C)ccc1S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.35
PTGS1 P23219 3/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.32
MAOA P21397 2/20 0.31
LOXL2 Q9Y4K0 2/20 0.31
LOX P28300 1/20 0.31
MAOB P27338 1/20 0.31
BRD4 O60885 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL6704623 0.83 PTGS2 (0.39) PTGS2PTGS1BRD4
SCHEMBL5377415 0.77 PTGS2 (0.40) PTGS2PTGS1CYP1A2CYP2C19MAPT
SCHEMBL6846588 0.73 PTGS2 (0.39) PTGS2PTGS1CYP1A2CYP2C19MAPT
SCHEMBL6846585 0.67 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6844095 0.67 MEN1 (0.39) PTGS2PTGS1BRD4
SCHEMBL7612387 0.67 PTGS2 (0.39) PTGS2
SCHEMBL27454511 0.66 PTGS2 (0.51) PTGS2MAOALOXL2LOX
SCHEMBL7617482 0.65 PTGS1 (0.44) PTGS2PTGS1MAPT
SCHEMBL6742699 0.63 NR3C1 (0.54) PTGS2PTGS1MAOALOXL2LOX
SCHEMBL6838945 0.61 PTGS2 (0.39) PTGS2PTGS1MAPT

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-20040204341-A1 Nr2b receptor antagonists for the treatment or prevention of migraines ALLEN CHRISTOPHER (US) 2004-10-14 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-20040204341-A1 Nr2b receptor antagonists for the treatment or prevention of migraines HTR1B, HTR2B, HTR1A PTGS2 138/4885PTGS1 90/4885CYP1A2 866/4885

“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.