SCHEMBL5565634

SCHEMBL5565634

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.37
GIPR P48546 2/20 0.37
NLRP3 Q96P20 1/20 0.36
PPARG P37231 5/20 0.34
CSNK2A1 P68400 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
S1PR1 P21453 2/20 0.32
P2RX3 P56373 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
SCHEMBL5565628 0.89 CENPE (0.39) S1PR1P2RX3
SCHEMBL5565637 0.89 CENPE (0.39) S1PR1P2RX3
SCHEMBL5565693 0.89 CENPE (0.41) ALDH1A1S1PR1
SCHEMBL5569744 0.87 THRA (0.36) GCGRGIPRNLRP3PPARGCSNK2A1
SCHEMBL5569939 0.81 CSNK2A1 (0.33) GCGRGIPRCSNK2A1S1PR1
SCHEMBL5565856 0.80 CSNK2A1 (0.33) CSNK2A1S1PR1
SCHEMBL5565688 0.79 CENPE (0.52) S1PR1
SCHEMBL5565695 0.79 CENPE (0.52) S1PR1
SCHEMBL5569162 0.79 CENPE (0.36) S1PR1P2RX3
SCHEMBL14421571 0.77 CENPE (0.36) S1PR1P2RX3

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 GCGR 4790/4885GIPR 4660/4885NLRP3 4846/4885

“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.