SCHEMBL4254082

SCHEMBL4254082

CCC(=O)c1cnc2ccc(C=C3SC(=O)NC3=O)cn12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
HTT P42858 1/20 0.51
PIK3CG P48736 2/20 0.50
PIK3CA P42336 1/20 0.48
PIM1 P11309 6/20 0.48
PIM2 Q9P1W9 5/20 0.48
IGF1R P08069 1/20 0.48
GPR35 Q9HC97 1/20 0.46
GSK3B P49841 3/20 0.45
HPGD P15428 4/20 0.45
AKR1B1 P15121 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PIM3 Q86V86 1/20 0.45
CISD1 Q9NZ45 3/20 0.44
MAOA P21397 1/20 0.44
NAT1 P18440 1/20 0.43
PTGS2 P35354 1/20 0.43
MTOR P42345 1/20 0.43

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
SCHEMBL4254079 1.00 RAB9A (0.51) RAB9ANPC1HTTPIK3CGPIK3CA
SCHEMBL4260643 0.90 PIK3CG (0.51) RAB9ANPC1HTTPIK3CGPIK3CA
SCHEMBL4259167 0.90 PIK3CG (0.51) RAB9ANPC1HTTPIK3CGPIK3CA
SCHEMBL4255970 0.87 PIK3CG (0.54) RAB9ANPC1HTTPIK3CGPIK3CA
SCHEMBL4255964 0.87 PIK3CG (0.54) RAB9ANPC1HTTPIK3CGPIK3CA
SCHEMBL4257913 0.86 PIK3CG (0.47) RAB9ANPC1HTTPIK3CGPIK3CA
SCHEMBL4260636 0.86 PIK3CG (0.47) RAB9ANPC1HTTPIK3CGPIK3CA
SCHEMBL4250648 0.86 PIK3CG (0.53) RAB9ANPC1HTTPIK3CGPIK3CA
SCHEMBL4251370 0.86 TGFBR1 (0.53) RAB9ANPC1HTTPIK3CGPIK3CA
SCHEMBL4250642 0.86 PIK3CG (0.53) RAB9ANPC1HTTPIK3CGPIK3CA

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
US-20090215818-A1 THIOZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-27 US claimed
US-20090215818-A1 THIOZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-27 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 (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-20090215818-A1 THIOZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PI4KA, PIP4K2A RAB9A 1048/4885NPC1 4114/4885HTT 1416/4885

“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.