SCHEMBL3630601

SCHEMBL3630601

CCOC(=O)CCc1ccc(N(Cc2ccc(OC(C)C)c(-c3c(C)cc(OCC4(O)CCS(=O)(=O)CC4)cc3C)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.42
MAPT P10636 5/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 3/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL3630598 0.96 FFAR1 (0.37) FFAR1MAPTKMT2AALDH1A1MEN1
SCHEMBL3631549 0.93 FFAR1 (0.45) FFAR1MAPTKMT2AALDH1A1MEN1
SCHEMBL3624456 0.93 FFAR1 (0.34) FFAR1MAPTKMT2AALDH1A1MEN1
SCHEMBL3631691 0.90 FFAR1 (0.43) FFAR1MAPTKMT2AALDH1A1MEN1
SCHEMBL3631548 0.89 FFAR1 (0.40) FFAR1MAPTKMT2AALDH1A1MEN1
SCHEMBL3631606 0.89 FFAR1 (0.40) FFAR1MAPTKMT2AALDH1A1MEN1
SCHEMBL3631313 0.88 FFAR1 (0.55) FFAR1MAPTKMT2AALDH1A1MEN1
SCHEMBL3631695 0.86 FFAR1 (0.38) FFAR1MAPTKMT2AALDH1A1MEN1
SCHEMBL3628917 0.86 MAPT (0.35) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL3631605 0.85 FFAR1 (0.35) FFAR1MAPTKMT2AALDH1A1MEN1

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-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
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 FFAR1 5/4885MAPT 3293/4885KMT2A 2669/4885

“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.