SCHEMBL4898264

SCHEMBL4898264

C[C@H](CC#N)COCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
CA1 P00915 4/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
TACR1 P25103 3/20 0.44
KMT2A Q03164 1/20 0.43
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.41
CTSK P43235 1/20 0.41
PBRM1 Q86U86 1/20 0.40
HTT P42858 1/20 0.39
MAOB P27338 3/20 0.39
SLC1A1 P43005 1/20 0.39

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
SCHEMBL4898269 1.00 TSHR (0.47) TSHRCA1CA2CA7CA9
SCHEMBL4907937 1.00 TSHR (0.47) TSHRCA1CA2CA7CA9
SCHEMBL3326147 0.83 TSHR (0.44) TSHRCA1CA2CA7CA9
SCHEMBL3326143 0.83 TSHR (0.44) TSHRCA1CA2CA7CA9
SCHEMBL14453899 0.83 TSHR (0.61) TSHRCA1CA2CA7CA9
SCHEMBL3325707 0.82 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL8328277 0.79 CA1 (0.62) TSHRCA1CA2CA7CA9
SCHEMBL6580596 0.79 CA1 (0.62) TSHRCA1CA2CA7CA9
SCHEMBL27686748 0.79 CA1 (0.62) TSHRCA1CA2CA7CA9
SCHEMBL3648827 0.79 TSHR (0.50) TSHRCA1CA2CA7CA9

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
EP-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF TSHR 1074/4885CA1 233/4885CA2 893/4885

“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.