SCHEMBL6943046

SCHEMBL6943046

COC(=O)CC1=C(C(=O)O)C(c2c(Cl)cccc2Cl)C(C(=O)O)=C(CCc2ccccc2NCC(F)(F)F)N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.35
TTR P02766 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
TBXA2R P21731 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
CXCL8 P10145 2/20 0.31
AKR1B10 O60218 1/20 0.31
UGT1A9 O60656 1/20 0.31
TRPA1 O75762 1/20 0.31
ABCB11 O95342 1/20 0.31
MT-CO2 P00403 1/20 0.31
ALB P02768 1/20 0.31
UGT1A6 P19224 1/20 0.31
UGT1A1 P22309 1/20 0.31
PTGS1 P23219 1/20 0.31
CXCR1 P25024 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL6946460 0.88 PTGS2 (0.39) PTGS2TTRUSP2LMNACYP2C9
SCHEMBL6946191 0.84 ALDH1A1 (0.41) PTGS2TTRUSP2LMNACYP2C9
SCHEMBL6153461 0.83 CYP4F2 (0.34) PTGS2TTRUSP2LMNACYP2C9
SCHEMBL6946876 0.83 TTR (0.35) PTGS2TTRUSP2LMNACYP2C9
SCHEMBL6949307 0.83 CYP2C9 (0.32) PTGS2TTRUSP2LMNACYP2C9
SCHEMBL7843083 0.82 ALDH1A1 (0.41) USP2KMT2AHPGDNPC1RAB9A
SCHEMBL6153189 0.82 CYP2C9 (0.32) PTGS2TTRUSP2LMNACYP2C9
SCHEMBL7836265 0.81 SLC7A5 (0.39) LMNAKMT2AHPGDNPC1POLB
SCHEMBL6152821 0.81 KMT2A (0.31) TTRUSP2LMNACYP2C9TBXA2R
SCHEMBL7248046 0.80 POLB (0.34) MAPK1POLBALDH1A1

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 285/4885TTR 4858/4885USP2 4325/4885

“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.