SCHEMBL5828159

SCHEMBL5828159

CC(C)(C)c1cc(-c2ccc(/C=C3\SC(=O)NC3=O)cc2)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.66
PTGS1 P23219 1/20 0.66
CISD1 Q9NZ45 2/20 0.56
GSK3B P49841 4/20 0.56
PIM1 P11309 3/20 0.56
PIM2 Q9P1W9 3/20 0.56
PIM3 Q86V86 2/20 0.56
CDC7 O00311 1/20 0.56
DAPK3 O43293 1/20 0.56
DYRK3 O43781 1/20 0.56
MAP4K4 O95819 1/20 0.56
PHKG2 P15735 1/20 0.56
RPS6KB1 P23443 1/20 0.56
CSNK1D P48730 1/20 0.56
CLK2 P49760 1/20 0.56
GSK3A P49840 1/20 0.56
NEK4 P51957 1/20 0.56
CSNK2A1 P68400 1/20 0.56
CSNK1G2 P78368 1/20 0.56
CAMK2D Q13557 1/20 0.56

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
SCHEMBL5828163 1.00 PTGS2 (0.66) PTGS2PTGS1CISD1GSK3BPIM1
SCHEMBL5827750 0.92 PTGS1 (0.59) PTGS2PTGS1CISD1GSK3BPIM1
SCHEMBL5827747 0.92 PTGS1 (0.59) PTGS2PTGS1CISD1GSK3BPIM1
SCHEMBL5828164 0.86 CSNK2A1 (0.49) PTGS2PTGS1CISD1GSK3BPIM1
SCHEMBL3667218 0.80 PTGS2 (1.00) PTGS2PTGS1CISD1GSK3BHPGD
SCHEMBL3667216 0.80 PTGS2 (1.00) PTGS2PTGS1CISD1GSK3BHPGD
SCHEMBL8962138 0.80 PTGS2 (1.00) PTGS2PTGS1CISD1GSK3BHPGD
SCHEMBL8172394 0.80 PTGS2 (0.74) PTGS2PTGS1CISD1GSK3BPIM1
SCHEMBL8172395 0.80 PTGS2 (0.74) PTGS2PTGS1CISD1GSK3BPIM1
SCHEMBL6449258 0.77 PIM1 (0.51) PTGS2PTGS1CISD1GSK3BPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153875-B2 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE SAN DIEGO (US) 2006-12-26 US disclosed
EP-1385465-A4 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES INCYTE SAN DIEGO INC (US) 2005-09-07 EP disclosed
EP-1385465-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES Incyte San Diego, Inc. (US) 2004-02-04 EP disclosed
US-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE GENOMICS, INC. 2002-10-03 US disclosed
WO-2002072009-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES MAXIA PHARMACEUTICALS, INC. (US) 2002-09-19 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-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases CCNY, HRAS, AHR PTGS2 3074/4885PTGS1 2411/4885CISD1 2486/4885

“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.