SCHEMBL3741108

SCHEMBL3741108

O=C(O)C[C@@H]1CCn2c1cc1cc(-c3noc(-c4cnccc4C(F)(F)F)n3)ccc12

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.71
S1PR5 Q9H228 2/20 0.59
S1PR4 O95977 1/20 0.46
PLAT P00750 1/20 0.41

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
SCHEMBL3757824 1.00 S1PR1 (0.71) S1PR1S1PR5S1PR4PLAT
SCHEMBL3428611 1.00 S1PR1 (0.71) S1PR1S1PR5S1PR4PLAT
SCHEMBL3427675 0.87 S1PR1 (0.64) S1PR1S1PR5S1PR4
SCHEMBL3747331 0.87 S1PR1 (0.64) S1PR1S1PR5S1PR4
SCHEMBL3750203 0.87 S1PR1 (0.64) S1PR1S1PR5S1PR4
SCHEMBL3743637 0.83 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL3748552 0.83 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL947698 0.83 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL3741136 0.82 S1PR1 (0.77) S1PR1S1PR5S1PR4PLAT
SCHEMBL3755340 0.82 S1PR1 (0.77) S1PR1S1PR5S1PR4PLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101981030-A Dihydro- 1H- pyrrolo [1,2-a] indol-1-yl carboxylic derivatives which act as S1P1 agonists ARENA PHARM INC 2011-02-23 CN 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

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 4/4885S1PR4 5/4885

“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.