SCHEMBL2834841

SCHEMBL2834841

CCc1ccc(-c2ccc(C(=O)OC)nc2-c2ccncc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 5/20 0.55
CYP46A1 Q9Y6A2 1/20 0.45
RAB9A P51151 2/20 0.43
ADORA2A P29274 2/20 0.42
ADORA2B P29275 2/20 0.42
ADORA1 P30542 2/20 0.42
TLR7 Q9NYK1 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK8 P45983 2/20 0.40
MAPK10 P53779 2/20 0.40
RAF1 P04049 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK13 O15264 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL2832834 0.89 S1PR3 (0.51) S1PR3ALDH1A1MAPK14CDC7DBF4
SCHEMBL2834187 0.88 S1PR3 (0.54) S1PR3ALDH1A1LMNASMN1; SMN2
SCHEMBL2837751 0.86 TP53 (0.43) S1PR3NPC1ALDH1A1LMNATP53
SCHEMBL2829639 0.81 TLR7 (0.45) S1PR3RAB9AADORA2AADORA2BADORA1
SCHEMBL2837649 0.80 S1PR3 (0.52) S1PR3ALDH1A1
SCHEMBL13292042 0.80 RAB9A (0.43) CYP46A1RAB9ANPC1ALDH1A1TP53
SCHEMBL19835545 0.78 SLC6A3 (0.51) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL2830890 0.78 ALDH1A1 (0.53) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2830731 0.77 CYP1A2 (0.54) S1PR3RAB9ANPC1ALDH1A1LMNA
SCHEMBL2833219 0.77 CYP1A2 (0.54) S1PR3RAB9ANPC1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064183-A2 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY Allergan, Inc. (US) 2009-06-03 EP claimed
WO-2008030838-A2 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2008-03-13 WO claimed
US-20080064872-A1 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. 2008-03-13 US claimed
US-7728014-B2 Heteroaromatic compounds having sphingosine-1-phosphate (S1P) receptor agonist biological activity ALLERGAN, INC. 2010-06-01 US disclosed
US-7728014-B2 Heteroaromatic compounds having sphingosine-1-phosphate (S1P) receptor agonist biological activity ALLERGAN, INC. 2010-06-01 US disclosed
US-7728014-B2 Heteroaromatic compounds having sphingosine-1-phosphate (S1P) receptor agonist biological activity ALLERGAN, INC. 2010-06-01 US disclosed
EP-2066633-A1 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY Allergan, Inc. (US) 2009-06-10 EP disclosed
EP-2064183-A2 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY Allergan, Inc. (US) 2009-06-03 EP disclosed
WO-2008030838-A2 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2008-03-13 WO disclosed
WO-2008030838-A2 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2008-03-13 WO disclosed
WO-2008030843-A1 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2008-03-13 WO disclosed
US-20080064872-A1 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. 2008-03-13 US disclosed
US-20080064872-A1 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. 2008-03-13 US disclosed
US-20080064872-A1 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. 2008-03-13 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-20080064872-A1 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY S1PR4, S1PR3, S1PR1 S1PR3 2/4885CYP46A1 380/4885RAB9A 3033/4885

“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.