SCHEMBL211568

SCHEMBL211568

CC(=O)N(NCc1cccc(F)c1Cl)[C@@H](CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)COC(=O)Nc1cc(-c2ccccc2)on1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.38
SCD5 Q86SK9 3/20 0.35
SCD O00767 2/20 0.34
GPR119 Q8TDV5 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
MDM4 O15151 1/20 0.32
MDM2 Q00987 1/20 0.32
P2RY12 Q9H244 4/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KDM1A O60341 1/20 0.31
KDM1B Q8NB78 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL212128 0.94 USP30 (0.39) USP30SCD5SCDGPR119HDAC3
SCHEMBL4351794 0.93 CYP1A2 (0.34) USP30SCD5SCDCYP1A2CYP2D6
SCHEMBL211287 0.90 MAPT (0.34) USP30SCD5SCDGPR119MDM4
SCHEMBL211569 0.89 USP30 (0.37) USP30SCD5SCDGPR119HDAC3
SCHEMBL210349 0.87 MDM4 (0.34) USP30SCD5SCDGPR119MDM4
SCHEMBL4345650 0.87 MAPT (0.33) USP30SCD5SCDCYP1A2CYP2D6
SCHEMBL212274 0.86 ACHE (0.36) GPR119MDM4MDM2KDM1AKDM1B
SCHEMBL211794 0.85 ATR (0.39) GPR119HDAC3HDAC1HDAC2HDAC8
SCHEMBL210876 0.85 GPR119 (0.39) USP30SCD5GPR119P2RY12HDAC6
SCHEMBL211341 0.84 USP30 (0.37) USP30SCD5SCDGPR119HDAC3

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 USP30 2381/4885SCD5 3908/4885SCD 3288/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 USP30 2381/4885SCD5 3908/4885SCD 3288/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 USP30 2381/4885SCD5 3908/4885SCD 3288/4885

“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.