SCHEMBL5185676

SCHEMBL5185676

COc1cccc(-c2cnc(S(C)(=O)=O)o2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.51
FLT1 P17948 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
FAAH O00519 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DYRK1A Q13627 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
SLC22A12 Q96S37 1/20 0.44
NOTUM Q6P988 1/20 0.44

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
SCHEMBL27892665 0.80 FLT1 (0.46) FLT1FLT4KDRFAAHSLC22A12
SCHEMBL27875906 0.80 VCP (0.47) VCPFLT1FLT4KDRALDH1A1
SCHEMBL27977306 0.79 PDE4A (0.53) FLT1FLT4KDRALDH1A1HPGD
SCHEMBL11707525 0.79 ALOX15 (0.50) VCPFLT1FLT4KDRALDH1A1
SCHEMBL2406093 0.78 VCP (0.56) VCPFLT1FLT4KDRFAAH
SCHEMBL5472146 0.77 VCP (0.55) VCPFLT1FLT4KDRFAAH
SCHEMBL5184574 0.77 VCP (0.55) VCPFLT1FLT4KDRFAAH
SCHEMBL5186160 0.77 VCP (0.55) VCPFLT1FLT4KDRFAAH
SCHEMBL29243089 0.76 VCP (0.52) VCPFLT1FLT4KDRFAAH
SCHEMBL5186180 0.74 VCP (0.53) VCPFLT1FLT4KDRFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551813-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-07-11 EP disclosed
US-20070142437-A1 CHEMICAL COMPOUNDS BROWN MATTHEW L 2007-06-21 US disclosed
US-20070142437-A1 CHEMICAL COMPOUNDS BROWN MATTHEW L 2007-06-21 US disclosed
US-20070142437-A1 CHEMICAL COMPOUNDS BROWN MATTHEW L 2007-06-21 US disclosed
US-7189712-B2 1,3-Oxazole compounds for the treatment of cancer SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-7189712-B2 1,3-Oxazole compounds for the treatment of cancer SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-7189712-B2 1,3-Oxazole compounds for the treatment of cancer SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-20050288515-A1 Chemical compounds SMITHLINE BEECHAM CORPORATION 2005-12-29 US disclosed
EP-1551813-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP disclosed
WO-2004032882-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-22 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 (2 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-20070142437-A1 CHEMICAL COMPOUNDS CDK4, CDK2, CDK3 VCP 3873/4885FLT1 56/4885FLT4 47/4885
US-20050288515-A1 Chemical compounds CDK4, CDK2, CDK3 VCP 3873/4885FLT1 56/4885FLT4 47/4885

“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.