SCHEMBL2826440

SCHEMBL2826440

O=Cc1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.48
NOTUM Q6P988 1/20 0.44
ACR P10323 2/20 0.43
KIF11 P52732 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
MAOB P27338 1/20 0.39
RAD51 Q06609 1/20 0.39
ATM Q13315 2/20 0.39
CRHBP P24387 1/20 0.39
MAPK1 P28482 1/20 0.39
CRHR2 Q13324 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TACR3 P29371 1/20 0.38
CASP1 P29466 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL14814661 0.81 CA12 (0.56) MAPTTP53ATMCRHBPMAPK1
SCHEMBL21051917 0.79 MKNK1 (0.45) POLBMAPTTP53RAB9AL3MBTL1
SCHEMBL28092499 0.77 ALPL (0.56) SNCAPOLBMAPTKDM4ENPC1
SCHEMBL2824796 0.77 KIF11 (0.43) SNCAKIF11POLBMAPTTP53
SCHEMBL2824797 0.77 KIF11 (0.43) SNCAKIF11POLBMAPTTP53
SCHEMBL1869857 0.77 POLB (0.57) POLBMAPTTP53KDM4ERAB9A
SCHEMBL14910868 0.76 KIF11 (0.47) SNCANOTUMACRKIF11POLB
SCHEMBL21856003 0.76 SNCA (0.53) SNCANOTUMACRKIF11POLB
SCHEMBL3051778 0.76 NPC1 (0.61) SNCANOTUMACRKIF11POLB
SCHEMBL27906337 0.75 SNCA (0.64) SNCAACRPOLBMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102906093-A Novel nk-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in nk-3 receptors mediated disorders EUROSCREEN SA 2013-01-30 CN claimed
EP-1731505-B1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2015-01-14 EP disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
EP-1731505-A1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-12-13 EP 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 (2 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-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives GPR119, FFAR1, GPR55 SNCA 4041/4885NOTUM 2238/4885ACR 2659/4885
US-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 SNCA 4210/4885NOTUM 3128/4885ACR 2484/4885

“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.