SCHEMBL3631084

SCHEMBL3631084

COC(=O)CCc1ccc(N(Cc2ccc(Cc3c(-c4ccccc4)[nH]c4ccccc34)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37

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
SCHEMBL3631612 0.81 MEN1 (0.45) MEN1KMT2ANPSR1ALDH1A1CYP2D6
SCHEMBL3630417 0.77 PTGES (0.43) MEN1KMT2APTGESALOX5NPSR1
SCHEMBL3630883 0.77 PTGES (0.43) MEN1KMT2APTGESALOX5NPSR1
SCHEMBL3630445 0.75 FFAR1 (0.51) PTGESALOX5ALDH1A1LMNAMAPT
SCHEMBL3628912 0.74 PTPRB (0.43) MEN1KMT2APTGESALOX5NPSR1
SCHEMBL3631090 0.74 PTPRB (0.43) MEN1KMT2APTGESALOX5NPSR1
SCHEMBL3624503 0.73 PTGES (0.38) CNR1MEN1KMT2APTGESALOX5
SCHEMBL3629356 0.73 PTGES (0.38) MEN1KMT2APTGESALOX5NPSR1
SCHEMBL3629354 0.73 PTGES (0.38) MEN1KMT2APTGESALOX5NPSR1
SCHEMBL3629655 0.72 FFAR1 (0.50) EGFRSRCTUBB4ATUBBTUBA3C

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 CNR1 188/4885MEN1 3372/4885KMT2A 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.