SCHEMBL5569744

SCHEMBL5569744

CCCOc1ccc(C(=O)C[C@H](CCO)Cc2ccc(-c3cn(C)c(C(C)(C)C)n3)cc2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
GCGR P47871 2/20 0.35
GIPR P48546 2/20 0.35
NLRP3 Q96P20 1/20 0.34
PPARG P37231 5/20 0.33
CSNK2A1 P68400 2/20 0.32
P2RX3 P56373 2/20 0.32
BTK Q06187 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
S1PR1 P21453 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL4882162 0.89 CENPE (0.39) P2RX3S1PR1
SCHEMBL4792889 0.89 CENPE (0.39) P2RX3S1PR1
SCHEMBL5565634 0.87 GCGR (0.37) THRATHRBGCGRGIPRNLRP3
SCHEMBL5569939 0.84 CSNK2A1 (0.33) GCGRGIPRCSNK2A1S1PR1
SCHEMBL14031435 0.81 DHODH (0.43) P2RX3S1PR1
SCHEMBL5565856 0.79 CSNK2A1 (0.33) CSNK2A1S1PR1
SCHEMBL5569474 0.78 P2RX3 (0.39) GCGRGIPRPPARGCSNK2A1P2RX3
SCHEMBL5565693 0.76 CENPE (0.41) ALDH1A1S1PR1
SCHEMBL5565628 0.76 CENPE (0.39) P2RX3S1PR1
SCHEMBL5565637 0.76 CENPE (0.39) P2RX3S1PR1

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-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 US claimed
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 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-20070219192-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 THRA 4623/4885THRB 4519/4885GCGR 4790/4885

“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.