SCHEMBL6949307

SCHEMBL6949307

COC(=O)CC1=C(C(=O)O)C(c2c(Cl)cccc2Cl)C(C(=O)O)=C(CCc2ccccc2N)N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 3/20 0.32
TTR P02766 2/20 0.32
TBXA2R P21731 2/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC7A5 Q01650 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LDHA P00338 1/20 0.31
PTGS2 P35354 2/20 0.31
ABCB11 O95342 2/20 0.31
ADRA1A P35348 2/20 0.31
NR1H4 Q96RI1 2/20 0.31
AKR1B10 O60218 1/20 0.31
UGT1A9 O60656 1/20 0.31
TRPA1 O75762 1/20 0.31
MT-CO2 P00403 1/20 0.31
ALB P02768 1/20 0.31
CXCL8 P10145 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
SCHEMBL6945502 0.92 HSD17B10 (0.36) CYP2C9KMT2ALMNATBXA2RALDH1A1
SCHEMBL6153461 0.90 CYP4F2 (0.34) CYP2C9KMT2ALMNATTRTBXA2R
SCHEMBL6946876 0.90 TTR (0.35) CYP2C9KMT2ALMNATTRTBXA2R
SCHEMBL6153189 0.89 CYP2C9 (0.32) CYP2C9KMT2ALMNATTRTBXA2R
SCHEMBL7843083 0.89 ALDH1A1 (0.41) KMT2AUSP2ALDH1A1NPC1HPGD
SCHEMBL7836265 0.87 SLC7A5 (0.39) KMT2ALMNASLC7A5ALDH1A1LDHA
SCHEMBL6152821 0.87 KMT2A (0.31) CYP2C9KMT2ALMNATTRTBXA2R
SCHEMBL6948275 0.86 SMN1; SMN2 (0.42) CYP2C9KMT2ALMNAMAPK1ALDH1A1
SCHEMBL6153144 0.86 PPARG (0.35) KMT2ALMNAALDH1A1HPGDPOLB
SCHEMBL6948274 0.86 SMN1; SMN2 (0.42) CYP2C9KMT2ALMNAMAPK1ALDH1A1

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 CYP2C9 2001/4885KMT2A 1890/4885LMNA 3127/4885

“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.