SCHEMBL9109965

SCHEMBL9109965

CCc1ccc(OC(c2cccc(Cl)c2)c2nc(-c3ccc(C=O)cc3)no2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
FFAR1 O14842 4/20 0.43
PTPN1 P18031 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.37
SMPD1 P17405 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 3/20 0.37
S1PR3 Q99500 2/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.36
S1PR1 P21453 2/20 0.36
S1PR4 O95977 1/20 0.36
S1PR5 Q9H228 1/20 0.36
F9 P00740 1/20 0.35
F10 P00742 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
SCHEMBL9110187 0.93 MAPT (0.48) MAPTFFAR1PTPN1SMN1; SMN2SMPD1
SCHEMBL9111098 0.90 FFAR1 (0.39) MAPTFFAR1PTPN1SMN1; SMN2TSHR
SCHEMBL9111156 0.86 S1PR3 (0.38) MAPTFFAR1PTPN1SMN1; SMN2LMNA
SCHEMBL9101504 0.83 FFAR1 (0.50) MAPTFFAR1PTPN1SMN1; SMN2SMPD1
SCHEMBL9107617 0.81 S1PR1 (0.58) S1PR3S1PR1S1PR4S1PR5
SCHEMBL9103434 0.77 FFAR1 (0.53) MAPTFFAR1PTPN1SMPD1S1PR3
SCHEMBL9101572 0.76 FFAR1 (0.50) MAPTFFAR1PTPN1SMN1; SMN2SMPD1
SCHEMBL9103408 0.75 PTPN1 (0.48) MAPTFFAR1PTPN1SMN1; SMN2MAPK1
SCHEMBL27942821 0.75 PTPN1 (0.47) MAPTPTPN1SMN1; SMN2MAPK1S1PR3
SCHEMBL9111175 0.75 S1PR1 (0.60) S1PR3S1PR1S1PR4S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.