SCHEMBL3749815

SCHEMBL3749815

O=C(O)C[C@H]1CCn2c1cc1cc(-c3noc(-c4cccc5c4OC(F)(F)O5)n3)ccc12

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.62
S1PR5 Q9H228 3/20 0.54
FFAR4 Q5NUL3 2/20 0.46
S1PR4 O95977 2/20 0.38
MAOA P21397 1/20 0.35
BLVRB P30043 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL3427656 1.00 S1PR1 (0.62) S1PR1S1PR5FFAR4S1PR4MAOA
SCHEMBL3740660 1.00 S1PR1 (0.62) S1PR1S1PR5FFAR4S1PR4MAOA
SCHEMBL3739690 0.86 S1PR1 (0.69) S1PR1S1PR5S1PR4
SCHEMBL3429036 0.86 S1PR1 (0.69) S1PR1S1PR5S1PR4
SCHEMBL3740478 0.86 S1PR1 (0.69) S1PR1S1PR5S1PR4
SCHEMBL3747202 0.79 S1PR1 (0.64) S1PR1S1PR5FFAR4S1PR4
SCHEMBL3426490 0.79 S1PR1 (0.64) S1PR1S1PR5FFAR4S1PR4
SCHEMBL3746538 0.79 S1PR1 (0.64) S1PR1S1PR5FFAR4S1PR4
SCHEMBL3427845 0.78 S1PR1 (0.67) S1PR1S1PR5S1PR4
SCHEMBL3750795 0.78 S1PR1 (0.67) 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 1 patent. 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 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 4/4885FFAR4 54/4885

“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.