SCHEMBL5334014

SCHEMBL5334014

CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OC)C(C)C2)C1c1cccs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.66
LMNA P02545 1/20 0.66
POLB P06746 1/20 0.66
AGTR1 P30556 1/20 0.66
GAA P10253 6/20 0.63
ALDH1A1 P00352 11/20 0.62
HPGD P15428 6/20 0.62
HSD17B10 Q99714 5/20 0.62
TSHR P16473 2/20 0.62
CASP1 P29466 5/20 0.59
MAPT P10636 5/20 0.58
HTT P42858 1/20 0.58
CASP7 P55210 1/20 0.58
USP2 O75604 3/20 0.55
TP53 P04637 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALOX15 P16050 3/20 0.54
MAPK1 P28482 1/20 0.53
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50

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
SCHEMBL5334574 0.94 KDM4E (0.68) KDM4ELMNAPOLBAGTR1GAA
SCHEMBL5334058 0.90 KDM4E (0.57) KDM4ELMNAPOLBAGTR1GAA
SCHEMBL5335039 0.89 KDM4E (0.56) KDM4ELMNAPOLBAGTR1GAA
SCHEMBL5328258 0.86 ALDH1A1 (0.68) KDM4ELMNAPOLBAGTR1GAA
SCHEMBL5330971 0.86 GAA (0.64) KDM4ELMNAPOLBAGTR1GAA
SCHEMBL5478793 0.86 GAA (0.66) KDM4ELMNAPOLBAGTR1GAA
SCHEMBL5315299 0.85 GAA (0.73) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL5334324 0.83 GAA (0.75) KDM4ELMNAGAAALDH1A1HPGD
SCHEMBL5474846 0.82 GAA (0.77) KDM4ELMNAGAAALDH1A1HPGD
SCHEMBL5330211 0.81 GAA (0.63) KDM4ELMNAPOLBAGTR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112015-A1 Substituted dihydropyridines and methods of use CHEMOCENTRYX, INC. (US) 2007-05-17 US disclosed
WO-2007051062-A2 SUBSTITUTED DIHYDROPYRIDINES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-03 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-20070112015-A1 Substituted dihydropyridines and methods of use C3AR1, C5AR1, C5AR2 KDM4E 4033/4885LMNA 2421/4885POLB 3870/4885

“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.