SCHEMBL4592735

SCHEMBL4592735

C[S+]([O-])c1ccc(-c2cc(-c3ccncc3)n(-c3ccc(F)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.53
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FLT3 P36888 1/20 0.44
PTGS1 P23219 4/20 0.42
CYP2C9 P11712 1/20 0.41
SRC P12931 1/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
AOC3 Q16853 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
SCHEMBL4907616 0.92 PTGS2 (0.67) PTGS2PTGS1CYP2C9AOC3
SCHEMBL4593759 0.81 PTGS2 (0.79) PTGS2PTGS1CYP2C9AOC3
SCHEMBL4592993 0.81 MEN1 (0.57) PTGS2MEN1NPC1LMNARAB9A
SCHEMBL4592621 0.81 PTGS2 (0.52) PTGS2MEN1NPC1LMNARAB9A
SCHEMBL9202389 0.80 PTGS2 (0.44) PTGS2MEN1NPC1LMNARAB9A
SCHEMBL9204515 0.78 PTGS2 (0.49) PTGS2MEN1KMT2APTGS1AOC3
SCHEMBL6780629 0.78 PTGS2 (0.49) PTGS2MEN1NPC1LMNARAB9A
SCHEMBL6780624 0.78 PTGS2 (0.49) PTGS2MEN1NPC1LMNARAB9A
SCHEMBL9207827 0.78 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL9205418 0.77 PTGS2 (0.52) PTGS2MEN1KMT2APTGS1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153569-A1 Novel pyrazole and pyrazoline substituted compounds SMITHKLINE BEECHAM CORPORATION 2003-08-14 US claimed
US-20020156104-A1 CSBP/p38/RK kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-24 US claimed
EP-1583535-A4 METHODS FOR TREATING DIABETES SCIOS INC (US) 2008-03-19 EP disclosed
EP-1583535-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2005-10-12 EP disclosed
US-20040171659-A1 Methods for treating diabetes SCIOS, INC. 2004-09-02 US disclosed
US-6774127-B2 TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2004-08-10 US disclosed
WO-2004053107-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2004-06-24 WO disclosed
US-20020156104-A1 CSBP/p38/RK kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-24 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 (3 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-20030153569-A1 Novel pyrazole and pyrazoline substituted compounds PDXK, COQ8A, PDK3 PTGS2 3455/4885MEN1 3265/4885NPC1 884/4885
US-20040171659-A1 Methods for treating diabetes SLC5A2, MAPK4, MAPK3 PTGS2 315/4885MEN1 4158/4885NPC1 2023/4885
US-20020156104-A1 CSBP/p38/RK kinase inhibitors MAPKAPK2, MAPKAPK3, MAPKAPK5 PTGS2 2606/4885MEN1 4619/4885NPC1 1992/4885

“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.