SCHEMBL3315010

SCHEMBL3315010

COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(N)=O)c(=O)c3ccccc32)cc1Cl

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 15/20 0.86
MAPT P10636 2/20 0.61

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
SCHEMBL22686964 0.92 S1PR2 (1.00) S1PR2MAPT
SCHEMBL3311073 0.91 S1PR2 (0.87) S1PR2MAPT
SCHEMBL22686945 0.91 S1PR2 (1.00) S1PR2MAPT
SCHEMBL3303619 0.91 S1PR2 (0.87) S1PR2MAPT
SCHEMBL22693533 0.91 S1PR2 (1.00) S1PR2MAPT
SCHEMBL22693619 0.90 S1PR2 (0.85) S1PR2MAPT
SCHEMBL3310718 0.90 S1PR2 (0.81) S1PR2MAPT
SCHEMBL22693559 0.90 S1PR2 (0.84) S1PR2MAPT
SCHEMBL3311240 0.89 S1PR2 (0.83) S1PR2MAPT
SCHEMBL22686954 0.89 S1PR2 (1.00) S1PR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2014-07-03 US disclosed
US-8633211-B2 Bicyclic organic compounds suitable for the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2014-01-21 US disclosed
US-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2010-05-06 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 (2 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-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 S1PR2 3/4885MAPT 3853/4885
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 S1PR2 3/4885MAPT 4020/4885

“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.