SCHEMBL1100701

SCHEMBL1100701

CC/C(=C\c1ccc(N)cc1F)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.34
PPARG P37231 2/20 0.34
MIF P14174 1/20 0.33
EPHX2 P34913 2/20 0.33
MAPT P10636 3/20 0.32
POLB P06746 2/20 0.32
RAB9A P51151 1/20 0.32
PRKCI P41743 1/20 0.32
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
ALDH1A1 P00352 3/20 0.31
ACHE P22303 1/20 0.31
MEN1 O00255 2/20 0.31
THRB P10828 2/20 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
SCHEMBL1100704 1.00 TBXAS1 (0.34) TBXAS1PPARGMIFEPHX2MAPT
SCHEMBL31118194 0.84 POLB (0.45) PPARGMAPTPOLBRAB9AALDH1A1
SCHEMBL3629097 0.83 PDE10A (0.38) TBXAS1MAPTPRKCILTB4RLTB4R2
SCHEMBL3629100 0.83 PDE10A (0.38) TBXAS1MAPTPRKCILTB4RLTB4R2
SCHEMBL3501826 0.83 PDE5A (0.39) TBXAS1PPARGMIFMAPTPOLB
SCHEMBL3501823 0.83 PDE5A (0.39) TBXAS1PPARGMIFMAPTPOLB
SCHEMBL3503013 0.81 CYP4F2 (0.40) TBXAS1PPARGPSEN1PSEN2APH1B
SCHEMBL3503011 0.81 CYP4F2 (0.40) TBXAS1PPARGPSEN1PSEN2APH1B
SCHEMBL3033600 0.80 AKR1C3 (0.42) MIFMAPTPOLBALDH1A1MEN1
SCHEMBL3033598 0.80 AKR1C3 (0.42) MIFMAPTPOLBALDH1A1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153694-B2 Cyclopropanecarboxylic acid compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-10 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

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 TBXAS1 1079/4885PPARG 35/4885MIF 2826/4885

“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.