SCHEMBL6946876

SCHEMBL6946876

COC(=O)CC1=C(C(=O)O)C(c2c(Cl)cccc2Cl)C(C(=O)O)=C(CCc2ccccc2O)N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.35
HSP90AA1 P07900 3/20 0.34
MT-CO2 P00403 2/20 0.34
LDHA P00338 1/20 0.33
CREBBP Q92793 1/20 0.33
AKR1B1 P15121 1/20 0.33
KMT2A Q03164 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
SLC7A5 Q01650 1/20 0.32
ALDH1A1 P00352 1/20 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
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
SCHEMBL6153461 0.92 CYP4F2 (0.34) TTRMT-CO2LDHAKMT2AUSP2
SCHEMBL6940628 0.92 CYP2C9 (0.36) TTRHSP90AA1MT-CO2LDHAKMT2A
SCHEMBL6949307 0.90 CYP2C9 (0.32) TTRMT-CO2LDHAKMT2AUSP2
SCHEMBL6153189 0.89 CYP2C9 (0.32) TTRMT-CO2LDHAKMT2AUSP2
SCHEMBL7843083 0.89 ALDH1A1 (0.41) KMT2AUSP2ALDH1A1MEN1NPC1
SCHEMBL7836265 0.87 SLC7A5 (0.39) LDHAKMT2ALMNASLC7A5ALDH1A1
SCHEMBL6152821 0.87 KMT2A (0.31) TTRLDHAKMT2AUSP2LMNA
SCHEMBL6948275 0.86 SMN1; SMN2 (0.42) KMT2ALMNACYP2C9MAPK1ALDH1A1
SCHEMBL6153144 0.86 PPARG (0.35) KMT2ALMNAALDH1A1MEN1POLB
SCHEMBL6948274 0.86 SMN1; SMN2 (0.42) KMT2ALMNACYP2C9MAPK1ALDH1A1

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 TTR 4858/4885HSP90AA1 1402/4885MT-CO2 3349/4885

“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.