SCHEMBL1698618

SCHEMBL1698618

CC(C)(C)OC(=O)N1CCC(Cc2ccc(C(=O)O)nc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.56
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
FAAH O00519 1/20 0.45
HPGDS O60760 1/20 0.45
YAP1 P46937 1/20 0.44
STS P08842 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL1698854 0.89 GPR119 (0.57) GPR119KDM4EPKMLMNATP53
SCHEMBL30643606 0.85 ALOX5AP (0.49) GPR119KDM4EPKMLMNATP53
SCHEMBL2489845 0.85 ALOX5AP (0.49) GPR119KDM4EPKMLMNATP53
SCHEMBL22387770 0.84 GPR119 (0.56) GPR119KDM4EPKMLMNATP53
SCHEMBL25189343 0.83 GPR119 (0.53) GPR119KDM4EPKMHPGDSYAP1
SCHEMBL30234556 0.83 GPR119 (0.53) GPR119KDM4EPKMHPGDSYAP1
SCHEMBL1252952 0.82 KDM4E (0.57) GPR119KDM4EPKMLMNATP53
SCHEMBL31362180 0.82 USP30 (0.50) GPR119KDM4EPKMLMNATP53
SCHEMBL25293821 0.82 USP30 (0.50) GPR119KDM4EPKMLMNATP53
SCHEMBL31640111 0.81 FAAH (0.48) GPR119KDM4EPKMLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296722-B2 Azolyl urea compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2016-03-29 US disclosed
US-20130310357-A1 Azolyl Urea Compounds and Methods of Use Thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-11-21 US disclosed
WO-2011150198-A1 AZOLYL UREA COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-12-01 WO 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-20130310357-A1 Azolyl Urea Compounds and Methods of Use Thereof CSF1R, CSF3R, ARG1 GPR119 53/4885KDM4E 1227/4885PKM 340/4885

“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.