SCHEMBL3311347

SCHEMBL3311347

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
S1PR2 O95136 9/20 0.36
TSHR P16473 1/20 0.35
MAPT P10636 3/20 0.34
TP53 P04637 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL3311745 0.89 S1PR2 (0.38) S1PR2TSHRMAPTTP53RXFP1
SCHEMBL3307101 0.86 S1PR2 (0.39) JAK2JAK1JAK3S1PR2MAPT
SCHEMBL3312343 0.84 S1PR2 (0.41) JAK2JAK1JAK3S1PR2TSHR
SCHEMBL3311342 0.79 S1PR2 (0.56) S1PR2MAPT
SCHEMBL3303629 0.75 S1PR2 (0.57) S1PR2MAPTTP53
SCHEMBL3311088 0.72 S1PR2 (0.56) S1PR2MAPTTP53
SCHEMBL3311738 0.67 S1PR2 (0.60) S1PR2MAPT
SCHEMBL3309199 0.66 POLB (0.66) S1PR2TSHRMAPTTP53POLB
SCHEMBL3311665 0.66 S1PR2 (0.58) S1PR2MAPTTP53POLBKDM4E
SCHEMBL3314289 0.65 S1PR2 (0.42) S1PR2MAPTTP53KDM4ECNR2

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 JAK2 1189/4885JAK1 1847/4885JAK3 892/4885
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 JAK2 1511/4885JAK1 2306/4885JAK3 1198/4885

“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.