SCHEMBL3629205

SCHEMBL3629205

COC(=O)CCc1ccc(N(Cc2cccc(-c3c(C)cc(OCC4CC4)cc3C)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.50
F2 P00734 1/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.35
KAT6A Q92794 1/20 0.35

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
SCHEMBL3630445 0.90 FFAR1 (0.51) FFAR1MAPTLMNAPTGESALOX5
SCHEMBL3630213 0.88 FFAR1 (0.50) FFAR1MAPTLMNA
SCHEMBL3630883 0.82 PTGES (0.43) FFAR1MAPTLMNAPTGESALOX5
SCHEMBL3631555 0.81 FFAR1 (0.39) FFAR1F2NPSR1
SCHEMBL3631553 0.81 FFAR1 (0.44) FFAR1F2NPSR1
SCHEMBL3629724 0.79 FFAR1 (0.43) FFAR1MAPTLMNAALDH1A1NPSR1
SCHEMBL3631612 0.76 MEN1 (0.45) F2MAPTLMNAALDH1A1NPSR1
SCHEMBL5107695 0.76 FFAR1 (0.82) FFAR1
SCHEMBL3631198 0.75 FFAR1 (0.63) FFAR1
SCHEMBL3629887 0.74 FFAR1 (0.43) FFAR1NPSR1

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 5/4885F2 4861/4885MAPT 3293/4885

“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.