SCHEMBL3624367

SCHEMBL3624367

COC(=O)c1ccc(Cn2nc(C(C)(C)C)cc2CCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRN P28799 2/20 0.54
SORT1 Q99523 2/20 0.54
GAA P10253 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
AGTR1 P30556 1/20 0.49
RECQL P46063 1/20 0.48
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
IDH1 O75874 1/20 0.46
FAAH O00519 1/20 0.45
DRD2 P14416 1/20 0.44
TBXA2R P21731 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
SCHEMBL2829966 0.82 GRN (0.53) GRNSORT1GAAMEN1KMT2A
SCHEMBL3631048 0.81 MEN1 (0.51) GRNSORT1GAAMEN1KMT2A
SCHEMBL13226116 0.81 RAB9A (0.51) GRNSORT1GAAMEN1KMT2A
SCHEMBL3631892 0.80 GAA (0.57) GRNSORT1GAAMEN1KMT2A
SCHEMBL3630181 0.80 GAA (0.57) GRNSORT1GAAMEN1KMT2A
SCHEMBL3631831 0.80 GRN (0.52) GRNSORT1GAANPSR1ALDH1A1
SCHEMBL2828536 0.76 GAA (0.53) GRNSORT1GAAMEN1KMT2A
SCHEMBL1928912 0.75 TSHR (0.67) RAB9AALDH1A1MAPTHPGDTSHR
SCHEMBL2824256 0.74 FFAR1 (0.49) GRNSORT1GAAALDH1A1RECQL
SCHEMBL2826557 0.71 GAA (0.49) GRNSORT1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 EP 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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 GRN 2970/4885SORT1 1075/4885GAA 2831/4885

“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.