SCHEMBL2489460

SCHEMBL2489460

Cc1ccc(S(=O)(=O)OC23CCC(CC2)CC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 1/20 0.42
TLR9 Q9NR96 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ACHE P22303 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
ENPP3 O14638 2/20 0.37
ENPP1 P22413 2/20 0.37
ENPP2 Q13822 2/20 0.37
HTR6 P50406 1/20 0.37
VDR P11473 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL4826744 0.90 CYP2D6 (0.40) CYP2D6CYP1A2SMN1; SMN2KMT2ATLR9
SCHEMBL4830977 0.85 KMT2A (0.40) CYP2D6CYP1A2SMN1; SMN2KMT2ATLR9
SCHEMBL15864813 0.80 GFER (0.45) CYP2D6CYP1A2SMN1; SMN2KMT2ATLR9
Methyl Alcohol SCHEMBL11717390 0.79 KMT2A (0.41) CYP2D6SMN1; SMN2KMT2ATLR9GAA
SCHEMBL7476404 0.78 CYP2D6 (0.40) CYP2D6CYP1A2SMN1; SMN2KMT2AGAA
SCHEMBL5873622 0.77 SMN1; SMN2 (0.41) CYP2D6CYP1A2SMN1; SMN2KMT2AGAA
SCHEMBL2341926 0.77 SMN1; SMN2 (0.48) CYP2D6CYP1A2SMN1; SMN2KMT2ATLR9
SCHEMBL4824267 0.74 SMN1; SMN2 (0.44) CYP2D6CYP1A2SMN1; SMN2KMT2AGAA
SCHEMBL23675244 0.73 SMN1; SMN2 (0.43) CYP2D6CYP1A2SMN1; SMN2KMT2AGAA
SCHEMBL7056971 0.72 SMN1; SMN2 (0.53) CYP2D6CYP1A2SMN1; SMN2KMT2ATLR9

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-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT ASTRAZENECA UK LIMITED (GB) 2015-05-21 US disclosed
EP-2379174-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT AstraZeneca AB (SE) 2011-10-26 EP disclosed
WO-2010071583-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2010-06-24 WO 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-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT NR3C2, GRK4, PTGER2 CYP2D6 3003/4885CYP1A2 690/4885SMN1; SMN2 3152/4885

“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.