SCHEMBL6946191

SCHEMBL6946191

COC(=O)CC1=C(C(=O)O)C(c2c(Cl)cccc2Cl)C(C(=O)O)=C(CCc2ccccc2NS(C)(=O)=O)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
RCE1 Q9Y256 1/20 0.41
HPGD P15428 2/20 0.36
NR3C1 P04150 1/20 0.36
SLC16A3 O15427 2/20 0.35
ACLY P53396 1/20 0.35
PLA2G7 Q13093 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TTR P02766 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
TBXA2R P21731 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
AKR1B10 O60218 1/20 0.32
UGT1A9 O60656 1/20 0.32

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
SCHEMBL7241116 0.87 KDM4E (0.41) ALDH1A1KDM4ERCE1HPGDNR3C1
SCHEMBL6153461 0.85 CYP4F2 (0.34) ALDH1A1KDM4EHPGDACLYSMN1; SMN2
SCHEMBL6946876 0.85 TTR (0.35) ALDH1A1HPGDSMN1; SMN2TTRUSP2
SCHEMBL6949307 0.85 CYP2C9 (0.32) ALDH1A1KDM4EHPGDNR3C1ACLY
SCHEMBL6943046 0.84 PTGS2 (0.35) ALDH1A1HPGDSLC16A3SMN1; SMN2TTR
SCHEMBL7843083 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDUSP2KMT2A
SCHEMBL6153189 0.84 CYP2C9 (0.32) ALDH1A1KDM4EHPGDSLC16A3ACLY
SCHEMBL6941861 0.82 PTGS2 (0.33) ALDH1A1KDM4EHPGDNR3C1ACLY
SCHEMBL7836265 0.82 SLC7A5 (0.39) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL6152821 0.82 KMT2A (0.31) ALDH1A1KDM4ETTRUSP2LMNA

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 ALDH1A1 1798/4885KDM4E 1330/4885RCE1 1275/4885

“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.