SCHEMBL3629655

SCHEMBL3629655

COC(=O)CCc1ccc(NCc2ccc(Cc3c(-c4ccccc4)[nH]c4ccccc34)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.50
FFAR4 Q5NUL3 4/20 0.50
EGFR P00533 1/20 0.49
SRC P12931 1/20 0.49
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
ESR1 P03372 4/20 0.46

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
SCHEMBL13226173 0.89 FFAR1 (0.64) FFAR1FFAR4PPARG
Hydrochloric Acid SCHEMBL3628478 0.89 FFAR1 (0.62) FFAR1FFAR4PPARG
SCHEMBL14367892 0.75 EGFR (0.68) EGFRSRCESR1ESR2
SCHEMBL31404858 0.72 EGFR (0.65) EGFRSRCTUBB4ATUBBTUBA3C
SCHEMBL22118373 0.72 EGFR (0.65) EGFRSRCTUBB4ATUBBTUBA3C
SCHEMBL11251430 0.71 FFAR1 (0.58) FFAR1FFAR4
SCHEMBL11252363 0.71 FFAR1 (0.71) FFAR1FFAR4HDAC1
SCHEMBL13840567 0.71 FFAR1 (0.59) FFAR1FFAR4
SCHEMBL4827768 0.70 FFAR1 (0.65) FFAR1FFAR4HDAC1
SCHEMBL480043 0.70 FFAR1 (0.65) FFAR1FFAR4HDAC1

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 FFAR1 5/4885FFAR4 18/4885EGFR 1333/4885

“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.