SCHEMBL947699

SCHEMBL947699

O=C(O)CC1CCc2cc3ccc(-c4noc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)n4)cc3n21

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.59
S1PR3 Q99500 2/20 0.51
S1PR5 Q9H228 2/20 0.51
S1PR4 O95977 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL3424217 0.90 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4CYP2C9
SCHEMBL946557 0.88 S1PR1 (0.48) S1PR1S1PR3S1PR5S1PR4CYP2C9
SCHEMBL3426610 0.87 S1PR1 (0.44) S1PR1S1PR3S1PR5S1PR4CYP2C9
SCHEMBL3426893 0.86 S1PR1 (0.42) S1PR1S1PR3S1PR5S1PR4
SCHEMBL3428589 0.84 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4CYP2C9
SCHEMBL948510 0.83 S1PR1 (0.49) S1PR1S1PR5S1PR4
SCHEMBL3431435 0.83 S1PR1 (0.48) S1PR1S1PR5S1PR4
SCHEMBL3428620 0.83 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4
SCHEMBL946682 0.82 S1PR1 (0.44) S1PR1S1PR5S1PR4
SCHEMBL3428648 0.82 S1PR1 (0.41) S1PR1

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
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 claimed
WO-2011005290-A1 DISUBSTITUTED OXADIAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2011-01-13 WO disclosed
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 1/4885S1PR3 3/4885S1PR5 4/4885

“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.