SCHEMBL4611564

SCHEMBL4611564

O=C(O)Cc1ccccc1Oc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.56
SLC1A5 Q15758 1/20 0.55
CHRM1 P11229 1/20 0.50
KDM4E B2RXH2 2/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
AKR1B1 P15121 1/20 0.44
CAMK2A Q9UQM7 2/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
P2RX4 Q99571 1/20 0.42
CFD P00746 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
F11 P03951 1/20 0.42
KLKB1 P03952 1/20 0.42
F7 P08709 1/20 0.42
TPSB2 P20231 1/20 0.42
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7679043 0.86 SLC1A5 (0.54) CXCL8SLC1A5CHRM1KDM4EL3MBTL1
SCHEMBL7698957 0.84 CXCL8 (0.59) CXCL8CHRM1KDM4ECYP1A2MAPT
SCHEMBL18906064 0.84 CXCL8 (0.52) CXCL8SLC1A5CHRM1KDM4ECYP1A2
SCHEMBL11097326 0.81 CXCL8 (0.79) CXCL8CHRM1L3MBTL1AKR1B1CAMK2A
SCHEMBL6827514 0.80 KDM4E (0.51) SLC1A5KDM4EP2RX4PDE4APDE4B
SCHEMBL5023935 0.80 KDM4E (0.51) SLC1A5KDM4EMAPTL3MBTL1PDE4A
SCHEMBL8827687 0.80 CHRM1 (0.59) CXCL8CHRM1L3MBTL1AKR1B1CAMK2A
SCHEMBL8827625 0.80 CXCL8 (0.51) CXCL8CHRM1KDM4ECYP1A2MAPT
SCHEMBL9799643 0.79 L3MBTL1 (0.56) SLC1A5KDM4EL3MBTL1TDP1
SCHEMBL8186213 0.79 CYP4A11 (0.51) CXCL8KDM4ECYP1A2MAPTAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372766-B1 FUNGICIDES AND ANTIGROWTH AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-04-16 US claimed
US-20080287441-A1 ALPHA-(TRIFLUOROMETHYL-SUBSTITUTED ARYLOXY, ARYLAMINO, ARYLTHIO OR ARYLMETHYL)-TRIFLUOROMETHYL-SUBSTITUTED PHENYLACETIC ACIDS AND DERIVATIVES AS ANTIDIABETIC AGENTS METABOLEX, INC. (US) 2008-11-20 US disclosed
US-7371888-B2 α-(Trifluoromethyl-substituted aryloxy, arylamino, arylthio or arylmethyl)-trifluoromethyl-substituted phenylacetic acids and derivatives as antidiabetic agents METABOLEX, INC. (US) 2008-05-13 US disclosed
EP-1716116-A1 ALPHA-(TRIFLUOROMETHYL-SUBSTITUTED ARYLOXY, ARYLAMINO, ARYLTHIO OR ARYLMETHYL)-TRIFLUOROMETHYL-SUBSTITUTED PHENYLACETIC ACIDS AND DERIVATIVES AS ANTIDIABETIC AGENTS METABOLEX, INC. (US) 2006-11-02 EP disclosed
US-20050222213-A1 Alpha(trifluoromethyl-substituted aryloxy, arylamino, arylthio or arylmethyl)-trifluoromethyl-substituted phenylacetic acids and derivatives as antidiabetic agents METABOLEX, INC. (US) 2005-10-06 US disclosed
WO-2005080340-A1 ALPHA-(TRIFLUOROMETHYL-SUBSTITUTED ARYLOXY, ARYLAMINO, ARYLTHIO OR ARYLMETHYL)-TRIFLUOROMETHYL-SUBSTITUTED PHENYLACETIC ACIDS AND DERIVATIVES AS ANTIDIABETIC AGENTS METABOLEX, INC. (US) 2005-09-01 WO 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-20050222213-A1 Alpha(trifluoromethyl-substituted aryloxy, arylamino, arylthio or arylmethyl)-trifluoromethyl-substituted phenylacetic acids and derivatives as antidiabetic agents GPR119, SLC5A1, AADAC CXCL8 4171/4885SLC1A5 172/4885CHRM1 2986/4885
US-20080287441-A1 ALPHA-(TRIFLUOROMETHYL-SUBSTITUTED ARYLOXY, ARYLAMINO, ARYLTHIO OR ARYLMETHYL)-TRIFLUOROMETHYL-SUBSTITUTED PHENYLACETIC ACIDS AND DERIVATIVES AS ANTIDIABETIC AGENTS SLC5A1, GPR119, SLC5A2 CXCL8 4168/4885SLC1A5 184/4885CHRM1 3002/4885

“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.