SCHEMBL4472558

SCHEMBL4472558

NC(=O)C(=O)NC1CCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
PDPK1 O15530 1/20 0.53
HTT P42858 1/20 0.52
TAS1R3 Q7RTX0 3/20 0.52
TAS1R1 Q7RTX1 3/20 0.52
TAS1R2 Q8TE23 3/20 0.52
ALDH1A1 P00352 2/20 0.51
EPHX2 P34913 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
EPHX1 P07099 1/20 0.50
MAPT P10636 1/20 0.48
P2RX7 Q99572 1/20 0.48

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
SCHEMBL5652155 0.91 HTT (0.65) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL29179603 0.91 HTT (0.65) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL30852969 0.91 HTT (0.65) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL30751997 0.87 CA1 (0.57) CA1CA2PDE4APDE4BPDE4C
SCHEMBL30752036 0.87 CA1 (0.57) CA1CA2PDE4APDE4BPDE4C
SCHEMBL1441195 0.87 CA1 (0.57) CA1CA2PDE4APDE4BPDE4C
SCHEMBL2073072 0.87 CA1 (0.57) CA1CA2PDE4APDE4BPDE4C
SCHEMBL1442687 0.87 CA1 (0.57) CA1CA2PDE4APDE4BPDE4C
SCHEMBL191726 0.81 HTT (0.60) CA1CA2PDE4APDE4BPDE4C
SCHEMBL191727 0.81 HTT (0.60) CA1CA2PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US claimed

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-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS CA1 1855/4885CA2 735/4885PDE4A 1865/4885

“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.