SCHEMBL3427849

SCHEMBL3427849

Cc1cccc(-c2nc(-c3ccc4cc5n(c4c3)C(CC(=O)O)CC5)no2)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
TGFBR1 P36897 4/20 0.35
KDR P35968 2/20 0.35
MAPK14 Q16539 1/20 0.35
S1PR3 Q99500 3/20 0.35
S1PR4 O95977 2/20 0.35
S1PR5 Q9H228 2/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
NR1H4 Q96RI1 2/20 0.34

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
SCHEMBL3424975 0.88 S1PR1 (0.38) S1PR1S1PR3S1PR4S1PR5
SCHEMBL3423656 0.86 S1PR1 (0.37) S1PR1S1PR3S1PR4S1PR5
SCHEMBL3428648 0.85 S1PR1 (0.41) S1PR1
SCHEMBL946682 0.83 S1PR1 (0.44) S1PR1S1PR4S1PR5
SCHEMBL3426503 0.83 S1PR1 (0.37) S1PR1S1PR3S1PR4S1PR5
SCHEMBL3426547 0.82 S1PR1 (0.40) S1PR1S1PR3S1PR4S1PR5
SCHEMBL3426893 0.82 S1PR1 (0.42) S1PR1S1PR3S1PR4S1PR5
SCHEMBL3427682 0.81 CYP11B1 (0.36) S1PR1MAPK14S1PR4S1PR5
SCHEMBL3428478 0.81 S1PR1 (0.46) S1PR1PPARAS1PR3S1PR4S1PR5
SCHEMBL3428956 0.80 S1PR1 (0.36) S1PR1S1PR3S1PR4S1PR5NR1H4

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 6 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 claimed
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-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 claimed
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 1/4885PPARD 241/4885PPARA 171/4885

“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.