SCHEMBL3428030

SCHEMBL3428030

CC(C)Oc1cnc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)OC(C)(C)C)no2)cn1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.55
S1PR5 Q9H228 2/20 0.46
STAT3 P40763 8/20 0.36

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
SCHEMBL3751406 0.90 S1PR1 (0.66) S1PR1S1PR5
SCHEMBL3743870 0.90 S1PR1 (0.66) S1PR1S1PR5
SCHEMBL3743874 0.90 S1PR1 (0.66) S1PR1S1PR5
SCHEMBL3431584 0.88 S1PR1 (0.51) S1PR1S1PR5STAT3
SCHEMBL3428736 0.88 S1PR1 (0.53) S1PR1S1PR5STAT3
SCHEMBL3430740 0.81 S1PR1 (0.82) S1PR1S1PR5
SCHEMBL3428041 0.80 STAT3 (0.38) STAT3
SCHEMBL3428958 0.80 S1PR1 (0.59) S1PR1S1PR5
SCHEMBL946556 0.79 S1PR1 (0.79) S1PR1S1PR5
SCHEMBL946042 0.79 S1PR1 (0.58) S1PR1S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252615-A1 DIHYDRO- 1H- PYRROLO [1,2-A]INDOL-1-YL CARBOXYLIC DERIVATIVES WHICH ACT AS S1P1 AGONISTS Arena Pharmaceuticals, Inc. (US) 2010-11-24 EP disclosed
US-20100292233-A1 DIHYDRO-1H-PYRROLO[1,2-A]INDOL-1-YL CARBOXYLIC ACID DERIVATIVES WHICH ACT AS S1P1 AGONISTS ARENA PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
WO-2009094157-A1 DIHYDRO- 1H- PYRROLO [1,2-A] INDOL-1-YL CARBOXYLIC DERIVATIVES WHICH ACT AS S1P1 AGONISTS ARENA PHARMACEUTICALS, INC. (US) 2009-07-30 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 (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-20100292233-A1 DIHYDRO-1H-PYRROLO[1,2-A]INDOL-1-YL CARBOXYLIC ACID DERIVATIVES WHICH ACT AS S1P1 AGONISTS S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR5 4/4885STAT3 651/4885

“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.