SCHEMBL9606616

SCHEMBL9606616

CC[C@@H](CCCC(=O)OC)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.44
NOTUM Q6P988 1/20 0.42
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
CA2 P00918 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MTOR P42345 1/20 0.38
LMNA P02545 1/20 0.37
WNT3A P56704 1/20 0.37
CHEK1 O14757 1/20 0.36
ABL1 P00519 3/20 0.36

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
SCHEMBL211142 0.86 CTSK (0.42) CTSKNOTUMPPARGPPARAALDH1A1
SCHEMBL211143 0.86 CTSK (0.42) CTSKNOTUMPPARGPPARAALDH1A1
SCHEMBL22550526 0.79 NOTUM (0.49) CTSKNOTUMALDH1A1KDM4EMTOR
SCHEMBL22550481 0.79 NOTUM (0.49) CTSKNOTUMALDH1A1KDM4EMTOR
SCHEMBL20718135 0.79 NOTUM (0.49) CTSKNOTUMALDH1A1KDM4EMTOR
SCHEMBL212094 0.79 CTSK (0.41) CTSKNOTUMPPARGPPARAALDH1A1
SCHEMBL212095 0.79 CTSK (0.41) CTSKNOTUMPPARGPPARAALDH1A1
SCHEMBL22793399 0.78 NOTUM (0.52) CTSKNOTUMALDH1A1KDM4ETSHR
SCHEMBL9606798 0.77 NOTUM (0.47) CTSKNOTUMALDH1A1KDM4ETSHR
SCHEMBL2841379 0.76 CTSK (0.43) CTSKNOTUMALDH1A1KDM4EMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 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 (2 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-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885NOTUM 2164/4885PPARG 860/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885NOTUM 2164/4885PPARG 860/4885

“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.