SCHEMBL3311745

SCHEMBL3311745

COc1ccc(N(OC)C(=O)Cn2c(=O)n(CC(=O)O)c(=O)c3c(Cl)nccc32)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 7/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
MAPT P10636 5/20 0.36
TP53 P04637 3/20 0.36
RXFP1 Q9HBX9 2/20 0.36
TSHR P16473 1/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KMO O15229 1/20 0.33

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
SCHEMBL3311347 0.89 JAK2 (0.37) S1PR2MAPTTP53RXFP1TSHR
SCHEMBL3309916 0.84 CMA1 (0.43) S1PR2PTGDR2MAPTTP53RXFP1
SCHEMBL3309825 0.83 S1PR2 (0.43) S1PR2MAPTTP53RXFP1
SCHEMBL3311088 0.82 S1PR2 (0.56) S1PR2MAPTTP53
SCHEMBL3311738 0.77 S1PR2 (0.60) S1PR2MAPT
SCHEMBL3312343 0.73 S1PR2 (0.41) S1PR2MAPTTP53RXFP1TSHR
SCHEMBL3311665 0.71 S1PR2 (0.58) S1PR2MAPTTP53POLB
SCHEMBL3309199 0.69 POLB (0.66) S1PR2MAPTTP53TSHRPOLB
SCHEMBL3311342 0.67 S1PR2 (0.56) S1PR2MAPT
SCHEMBL3312112 0.67 S1PR2 (0.48) S1PR2MAPTTP53

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 3/4885PTGDR2 95/4885MAPT 3853/4885
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 S1PR2 3/4885PTGDR2 107/4885MAPT 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.