SCHEMBL4762897

SCHEMBL4762897

COc1cc2c(Sc3ccc(CC(=O)O)cc3)c(C(=O)Nc3nnn[nH]3)sc2cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
CASP6 P55212 1/20 0.33
CFB P00751 1/20 0.32
NR1H4 Q96RI1 3/20 0.32
PPARD Q03181 1/20 0.31
ABL1 P00519 1/20 0.31
SRC P12931 1/20 0.31
GLS O94925 1/20 0.31
EDNRA P25101 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31

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
SCHEMBL5794401 0.97 PIK3CD (0.36) PIK3CDCASP6CFBNR1H4PPARD
SCHEMBL5791121 0.94 STING1 (0.36) PIK3CDNR1H4ABL1SRCGLS
SCHEMBL5793696 0.94 PIK3CD (0.39) PIK3CDGLSKDM4EPOLBPKM
SCHEMBL4762949 0.92 PIK3CD (0.38) PIK3CDABL1SRCPOLBSTING1
SCHEMBL6812741 0.90 PIK3CD (0.36) PIK3CDGLSKDM4EPOLBPKM
SCHEMBL5793171 0.90 PIK3CD (0.40) PIK3CDPPARDEDNRAKDM4EPOLB
SCHEMBL4763527 0.90 PIK3CD (0.40) PIK3CDEDNRAPOLBTUBB4ATUBB
SCHEMBL4762834 0.89 PIK3CD (0.39) PIK3CDEDNRAPOLBPKMTSHR
SCHEMBL4792469 0.89 PIK3CD (0.40) PIK3CDEDNRAKDM4EPKMTDP1
SCHEMBL5821279 0.89 PIK3CD (0.38) PIK3CDABL1SRCPOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation DIACOVO THOMAS G 2008-11-20 US claimed
EP-1885356-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2008-02-13 EP claimed
WO-2006089106-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2006-08-24 WO claimed
EP-1636211-A1 3-ARYLSULFANYL AND 3-HETEROARYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY (US) 2006-03-22 EP claimed
WO-2004108716-A1 3-ARYLSULFANYL AND 3-HETEROARYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO claimed
US-20040248953-A1 3-Arylsulfanyl and 3-heteroarylsulfanyl substituted benzo[b]thiophenes as therapeutic agents GOGLIOTTI ROCCO DEAN (US) 2004-12-09 US claimed
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation DIACOVO THOMAS G 2008-11-20 US disclosed
EP-1885356-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2008-02-13 EP disclosed
WO-2006089106-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2006-08-24 WO disclosed
EP-1636211-A1 3-ARYLSULFANYL AND 3-HETEROARYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY (US) 2006-03-22 EP disclosed
WO-2004108716-A1 3-ARYLSULFANYL AND 3-HETEROARYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO disclosed
US-20040248953-A1 3-Arylsulfanyl and 3-heteroarylsulfanyl substituted benzo[b]thiophenes as therapeutic agents GOGLIOTTI ROCCO DEAN (US) 2004-12-09 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 (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-20040248953-A1 3-Arylsulfanyl and 3-heteroarylsulfanyl substituted benzo[b]thiophenes as therapeutic agents SULT2A1, SULT1A1, SULT1E1 PIK3CD 3754/4885CASP6 2509/4885CFB 4188/4885
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation PI4KB, PIK3CA, PI4KA PIK3CD 4/4885CASP6 2006/4885CFB 3682/4885

“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.