SCHEMBL5186180

SCHEMBL5186180

COc1cccc(-c2cnc(SC)o2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.53
FAAH O00519 1/20 0.49
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
NOTUM Q6P988 1/20 0.46
HPGD P15428 6/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 3/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 3/20 0.44
FLT1 P17948 2/20 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
SCHEMBL2406093 0.80 VCP (0.56) VCPFAAHDYRK1ACLK4HPGD
SCHEMBL5472146 0.79 VCP (0.55) VCPFAAHDYRK1ACLK4HDAC1
SCHEMBL5186160 0.79 VCP (0.55) VCPFAAHDYRK1ACLK4HDAC1
SCHEMBL5184574 0.79 VCP (0.55) VCPFAAHDYRK1ACLK4HDAC1
SCHEMBL11707415 0.77 TSHR (0.53) VCPFAAHNOTUMHPGDALDH1A1
SCHEMBL29243089 0.75 VCP (0.52) VCPFAAHDYRK1ACLK4HDAC1
SCHEMBL29394070 0.75 VCP (0.52) VCPFAAHDYRK1ACLK4HDAC1
SCHEMBL22556727 0.75 VCP (0.52) VCPFAAHDYRK1ACLK4HDAC1
SCHEMBL4883708 0.75 ALOX15 (0.60) VCPFAAHNOTUMHPGDALDH1A1
SCHEMBL5185676 0.74 VCP (0.51) VCPFAAHDYRK1ACLK4HDAC1

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 3873/4885FAAH 4757/4885DYRK1A 673/4885
US-20050288515-A1 Chemical compounds CDK4, CDK2, CDK3 VCP 3873/4885FAAH 4757/4885DYRK1A 673/4885

“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.