SCHEMBL212128

SCHEMBL212128

CC(=O)N(NCc1cccc(F)c1F)[C@@H](CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)COC(=O)Nc1cc(-c2ccccc2)on1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.39
GPR119 Q8TDV5 2/20 0.38
SCD5 Q86SK9 2/20 0.36
CXCR2 P25025 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
SCD O00767 1/20 0.33
CYP3A4 P08684 1/20 0.33
SCN9A Q15858 1/20 0.33
P2RY12 Q9H244 4/20 0.33
HDAC6 Q9UBN7 1/20 0.32
KDM1A O60341 1/20 0.32
KDM1B Q8NB78 1/20 0.32
ACHE P22303 1/20 0.32
ACKR3 P25106 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL211568 0.94 USP30 (0.38) USP30GPR119SCD5HDAC3HDAC1
SCHEMBL4345650 0.92 MAPT (0.33) USP30SCD5SCDMAPTSMN1; SMN2
SCHEMBL210876 0.91 GPR119 (0.39) USP30GPR119SCD5CXCR2P2RY12
SCHEMBL212129 0.89 GPR119 (0.39) USP30GPR119SCD5CXCR2HDAC3
SCHEMBL211628 0.87 GPR119 (0.38) GPR119CXCR2CYP3A4SCN9AKDM1A
SCHEMBL4351794 0.86 CYP1A2 (0.34) USP30SCD5SCDMAPTSMN1; SMN2
SCHEMBL212595 0.86 MAPT (0.34) USP30SCD5HDAC3HDAC1HDAC2
SCHEMBL211287 0.84 MAPT (0.34) USP30GPR119SCD5SCDP2RY12
SCHEMBL212349 0.84 MAPT (0.34) SCD5SCDMAPT
SCHEMBL212677 0.84 GPR119 (0.37) GPR119CXCR2CYP3A4SCN9AKDM1A

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-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 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 (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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 USP30 2381/4885GPR119 1271/4885SCD5 3908/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 USP30 2381/4885GPR119 1271/4885SCD5 3908/4885

“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.