SCHEMBL3625873

SCHEMBL3625873

CC(C)COc1ccc(C=O)cc1Cn1nc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 7/20 0.42
SLC16A1 P53985 7/20 0.42
MCTS1 Q9ULC4 4/20 0.42
PTGER1 P34995 5/20 0.41
TP53 P04637 4/20 0.40
MDM2 Q00987 4/20 0.40
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 1/20 0.36

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
SCHEMBL3630923 0.81 SLC16A3 (0.42) SLC16A3SLC16A1MCTS1TP53POLB
SCHEMBL2826993 0.78 L3MBTL1 (0.41) RXFP1
SCHEMBL2825257 0.76 PTGER1 (0.53) PTGER1
SCHEMBL3629881 0.73 ALDH1A1 (0.46) RXFP1POLB
SCHEMBL3633108 0.73 PTGER1 (0.40) PTGER1RXFP1
SCHEMBL3631142 0.72 FFAR1 (0.49) PTGER1TP53MDM2
SCHEMBL11539783 0.70 NR1H2 (0.48) SLC16A3SLC16A1POLB
SCHEMBL2824800 0.70 ALDH1A1 (0.48) POLB
SCHEMBL3631863 0.69 MAPT (0.43) TP53
SCHEMBL3722886 0.68 TACR2 (0.55) POLB

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 SLC16A3 229/4885SLC16A1 74/4885MCTS1 1737/4885

“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.