SCHEMBL3427682

SCHEMBL3427682

Cc1ccncc1-c1nc(-c2ccc3cc4n(c3c2)C(CC(=O)O)CC4)no1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
S1PR1 P21453 6/20 0.36
S1PR5 Q9H228 2/20 0.36
S1PR4 O95977 1/20 0.36
ABL1 P00519 9/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
AHR P35869 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK14 Q16539 1/20 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
SCHEMBL3428620 0.88 S1PR1 (0.41) CYP11B1CYP11B2S1PR1S1PR5S1PR4
SCHEMBL3426503 0.85 S1PR1 (0.37) S1PR1S1PR5S1PR4ABL1NPC1
SCHEMBL3426547 0.84 S1PR1 (0.40) S1PR1S1PR5S1PR4
SCHEMBL3428648 0.83 S1PR1 (0.41) S1PR1
SCHEMBL3423656 0.83 S1PR1 (0.37) S1PR1S1PR5S1PR4
SCHEMBL3424975 0.83 S1PR1 (0.38) S1PR1S1PR5S1PR4ABL1
SCHEMBL3427849 0.81 S1PR1 (0.38) S1PR1S1PR5S1PR4MAPK14
SCHEMBL3426893 0.81 S1PR1 (0.42) S1PR1S1PR5S1PR4
SCHEMBL946682 0.80 S1PR1 (0.44) S1PR1S1PR5S1PR4
SCHEMBL3425996 0.80 S1PR1 (0.40) S1PR1S1PR5S1PR4

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-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
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 CYP11B1 498/4885CYP11B2 1053/4885S1PR1 1/4885

“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.