SCHEMBL6153189

SCHEMBL6153189

COC(=O)CC1=C(C(=O)O)C(c2c(Cl)cccc2Cl)C(C(=O)O)=C(CCc2ccccc2I)N1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP2D6 P10635 2/20 0.32
CFD P00746 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TTR P02766 2/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 1/20 0.31
TBXA2R P21731 1/20 0.31
MAPK1 P28482 1/20 0.31
SLC7A5 Q01650 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LDHA P00338 1/20 0.31
PTGS2 P35354 2/20 0.31
AKR1B10 O60218 1/20 0.31
UGT1A9 O60656 1/20 0.31
TRPA1 O75762 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
SCHEMBL6153193 0.92 LMNA (0.36) CYP2C9CYP1A2CYP2C19CYP2D6CFD
SCHEMBL6949307 0.89 CYP2C9 (0.32) CYP2C9CYP1A2CYP2C19CYP2D6SMN1; SMN2
SCHEMBL6946876 0.89 TTR (0.35) CYP2C9SMN1; SMN2LMNAL3MBTL1TTR
SCHEMBL6153461 0.89 CYP4F2 (0.34) CYP2C9CYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL7843083 0.88 ALDH1A1 (0.41) KMT2AUSP2ALDH1A1HPGDNPC1
SCHEMBL7836265 0.86 SLC7A5 (0.39) LMNAL3MBTL1KMT2ASLC7A5ALDH1A1
SCHEMBL6152821 0.86 KMT2A (0.31) CYP2C9LMNATTRKMT2AUSP2
SCHEMBL6948275 0.85 SMN1; SMN2 (0.42) CYP2C9CYP1A2CYP2C19CYP2D6SMN1; SMN2
SCHEMBL6948274 0.85 SMN1; SMN2 (0.42) CYP2C9CYP1A2CYP2C19CYP2D6SMN1; SMN2
SCHEMBL6153144 0.85 PPARG (0.35) LMNAL3MBTL1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307449-B1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMA (JP) 2005-12-07 EP disclosed
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
US-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists KAWAMURA MITSUHIRO (US) 2002-10-31 US 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 2001/4885CYP1A2 1211/4885CYP2C19 1873/4885

“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.