SCHEMBL13626933

SCHEMBL13626933

Cc1cc(CC(NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.52
FFAR4 Q5NUL3 1/20 0.50
PPARA Q07869 1/20 0.50
ACE P12821 1/20 0.49
CTSS P25774 4/20 0.48
CTSB P07858 3/20 0.48
CTSK P43235 3/20 0.48
KLK5 Q9Y337 1/20 0.48
CTSL P07711 1/20 0.48
PTPN1 P18031 2/20 0.48
BCL2 P10415 1/20 0.48
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL13227711 0.94 KLK5 (0.56) TACR1FFAR4PPARAACECTSS
SCHEMBL9589331 0.92 PPARA (0.52) TACR1PPARAACECTSSCTSB
SCHEMBL9589336 0.92 PPARA (0.52) TACR1PPARAACECTSSCTSB
SCHEMBL7709594 0.89 PTPN1 (0.54) TACR1PPARAACECTSSCTSB
SCHEMBL2617284 0.89 PTPN1 (0.58) TACR1PPARAACECTSSCTSB
SCHEMBL2617292 0.89 PTPN1 (0.54) TACR1PPARAACECTSSCTSB
SCHEMBL10214908 0.89 PTPN1 (0.58) TACR1PPARAACECTSSCTSB
SCHEMBL12643654 0.88 PPARA (0.50) TACR1PPARAACECTSSCTSB
SCHEMBL14577322 0.88 PPARA (0.50) TACR1PPARAACECTSSCTSB
SCHEMBL27406840 0.88 TACR1 (0.54) TACR1PPARAACECTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 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-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 TACR1 4183/4885FFAR4 4823/4885PPARA 2973/4885

“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.