SCHEMBL9110187

SCHEMBL9110187

CCCc1ccc(OC(c2cccc(Cl)c2)c2nc(-c3ccc(C=O)cc3)no2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
FFAR1 O14842 3/20 0.46
PTPN1 P18031 3/20 0.40
SMPD1 P17405 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
S1PR3 Q99500 2/20 0.36
PSMB5 P28074 1/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
S1PR4 O95977 1/20 0.35

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
SCHEMBL9109965 0.93 MAPT (0.46) MAPTFFAR1PTPN1SMPD1ALOX15
SCHEMBL9111098 0.88 FFAR1 (0.39) MAPTFFAR1PTPN1TSHRMAPK1
SCHEMBL9111156 0.85 S1PR3 (0.38) MAPTFFAR1PTPN1SMN1; SMN2S1PR3
SCHEMBL9103434 0.84 FFAR1 (0.53) MAPTFFAR1PTPN1SMPD1S1PR3
SCHEMBL9111175 0.81 S1PR1 (0.60) S1PR3S1PR4S1PR1S1PR5
SCHEMBL9104215 0.78 FFAR1 (0.46) MAPTFFAR1PTPN1SMPD1S1PR3
SCHEMBL9101504 0.77 FFAR1 (0.50) MAPTFFAR1PTPN1SMPD1SMN1; SMN2
SCHEMBL9101572 0.75 FFAR1 (0.50) MAPTFFAR1PTPN1SMPD1SMN1; SMN2
SCHEMBL9107617 0.74 S1PR1 (0.58) S1PR3S1PR4S1PR1S1PR5
SCHEMBL9103408 0.74 PTPN1 (0.48) MAPTFFAR1PTPN1MAPK1SMN1; SMN2

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
EP-2646023-B1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2015-01-07 EP disclosed
US-8906899-B2 Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-12-09 US disclosed
US-20130303513-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-11-14 US disclosed
US-8501726-B2 Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-08-06 US disclosed
US-20120142663-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 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 (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-20130303513-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 MAPT 3797/4885FFAR1 99/4885PTPN1 476/4885
US-20120142663-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 MAPT 3797/4885FFAR1 99/4885PTPN1 476/4885

“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.