SCHEMBL210876

SCHEMBL210876

CC(=O)N(NCc1cccc(F)c1F)[C@@H](CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)COC(=O)Nc1cc(-c2ccccc2)no1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.39
MAPT P10636 1/20 0.35
P2RY12 Q9H244 7/20 0.35
HDAC6 Q9UBN7 1/20 0.35
USP30 Q70CQ3 2/20 0.33
CXCR2 P25025 1/20 0.33
SCD5 Q86SK9 1/20 0.33
TP53 P04637 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL211287 0.94 MAPT (0.34) GPR119MAPTP2RY12HDAC6USP30
SCHEMBL4355824 0.92 MAPT (0.38) MAPTUSP30TP53
SCHEMBL212128 0.91 USP30 (0.39) GPR119MAPTP2RY12HDAC6USP30
SCHEMBL210349 0.89 MDM4 (0.34) GPR119MAPTP2RY12HDAC6USP30
SCHEMBL210877 0.89 GPR119 (0.40) GPR119MAPTP2RY12HDAC6USP30
SCHEMBL212146 0.86 MAPT (0.42) MAPTUSP30TP53
SCHEMBL4343014 0.86 MAPT (0.37) MAPTUSP30TP53
SCHEMBL211568 0.85 USP30 (0.38) GPR119P2RY12HDAC6USP30SCD5
SCHEMBL210463 0.85 MAPT (0.41) MAPTUSP30TP53
SCHEMBL211628 0.84 GPR119 (0.38) GPR119CXCR2

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 5 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-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
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 (3 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 GPR119 1271/4885MAPT 530/4885P2RY12 1319/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GPR119 1271/4885MAPT 530/4885P2RY12 1319/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GPR119 1271/4885MAPT 530/4885P2RY12 1319/4885

“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.