SCHEMBL6153142

SCHEMBL6153142

COC(=O)C1=C(CCc2ccccc2CSc2ccccc2)NC(CC(=O)O)=C(C(=O)OC)C1c1c(Cl)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
CYP3A4 P08684 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
HSD17B10 Q99714 3/20 0.37
RECQL P46063 2/20 0.37
CYP2D6 P10635 2/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADRA1A P35348 4/20 0.35
TBXA2R P21731 3/20 0.35
SLC6A3 Q01959 3/20 0.35

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
SCHEMBL6154669 0.94 MEN1 (0.36) CYP2C9MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL6152944 0.88 ADRA1A (0.36) CYP2C9MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL6153144 0.87 PPARG (0.35) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL6152968 0.84 SLC6A4 (0.35) CYP2C9MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL7492036 0.83 ALDH1A1 (0.40) CYP2C9MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL7241116 0.81 KDM4E (0.41) CYP3A4ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL6154279 0.81 CCR3 (0.33) ALDH1A1MAPTKDM4EHSD17B10TP53
SCHEMBL6154618 0.81 KDM4E (0.36) CYP2C9MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL6946460 0.80 PTGS2 (0.39) CYP2C9MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL7132448 0.79 CXCL8 (0.34) CYP2C9MEN1KMT2ACYP3A4ALDH1A1

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 2001/4885MEN1 2435/4885KMT2A 1890/4885

“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.