SCHEMBL6938668

SCHEMBL6938668

COC(=O)C1=C(CCc2ccccc2NS(=O)(=O)C(F)(F)F)NC(CC(=O)O)=C(C(=O)OC)C1c1c(Cl)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.38
PTGS1 P23219 4/20 0.34
ADRA1A P35348 3/20 0.34
TTR P02766 2/20 0.34
CXCL8 P10145 2/20 0.34
ABCB11 O95342 2/20 0.34
AKR1B10 O60218 1/20 0.34
UGT1A9 O60656 1/20 0.34
TRPA1 O75762 1/20 0.34
MT-CO2 P00403 1/20 0.34
ALB P02768 1/20 0.34
UGT1A6 P19224 1/20 0.34
UGT1A1 P22309 1/20 0.34
CXCR1 P25024 1/20 0.34
AGTR2 P50052 1/20 0.34
NR1I3 Q14994 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
UGT1A7 Q9HAW7 1/20 0.34
UGT1A10 Q9HAW8 1/20 0.34

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
SCHEMBL6941861 0.93 PTGS2 (0.33) PTGS2PTGS1ADRA1AABCB11NR1H4
SCHEMBL7241116 0.90 KDM4E (0.41) PTGS2PTGS1ADRA1ATTRCXCL8
SCHEMBL6946460 0.86 PTGS2 (0.39) PTGS2PTGS1ADRA1ATTRCXCL8
SCHEMBL6152944 0.82 ADRA1A (0.36) PTGS2PTGS1ADRA1ATTRCXCL8
SCHEMBL6940678 0.82 BDKRB1 (0.32) MC4R
SCHEMBL6153142 0.79 CYP2C9 (0.37) PTGS2PTGS1ADRA1ATTRCXCL8
SCHEMBL6152968 0.78 SLC6A4 (0.35) PTGS2PTGS1ADRA1ATTRCXCL8
SCHEMBL6946191 0.77 ALDH1A1 (0.41) PTGS2PTGS1ADRA1ATTRCXCL8
SCHEMBL7132448 0.77 CXCL8 (0.34) PTGS2PTGS1ADRA1ATTRCXCL8
SCHEMBL6940628 0.76 CYP2C9 (0.36) ADRA1ATTRABCB11MT-CO2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653313-B2 For treatment and prevention of inflammation, asthma, allergic rhinitis, pain and other disorders WARNER-LAMBERT COMPANY LLC 2003-11-25 US disclosed
EP-1307449-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2003-05-07 EP disclosed
US-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists KAWAMURA MITSUHIRO (US) 2002-10-31 US disclosed
WO-2002012235-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2002-02-14 WO 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-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 PTGS2 285/4885PTGS1 109/4885ADRA1A 22/4885

“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.