SCHEMBL4792844

SCHEMBL4792844

COc1cc2sc(C(=O)Nc3nnn[nH]3)c(SCc3ccc(C(=O)O)cc3)c2cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
MAPT P10636 6/20 0.40
KMT2A Q03164 2/20 0.38
ALPL P05186 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
ABL1 P00519 2/20 0.35
SRC P12931 2/20 0.35
PIK3CD O00329 1/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
F2 P00734 1/20 0.34
KDR P35968 1/20 0.34
NPC1 O15118 2/20 0.34

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
SCHEMBL5795016 0.88 PIK3CD (0.36) MAPTKMT2APIK3CDNPC1RAB9A
SCHEMBL4762834 0.84 PIK3CD (0.39) MAPTKMT2APIK3CDKDRNPC1
SCHEMBL6812458 0.83 L3MBTL1 (0.38) MAPTKMT2AALPLF2KDR
SCHEMBL5794401 0.82 PIK3CD (0.36) ABL1SRCPIK3CDALDH1A1GAA
SCHEMBL4793364 0.82 POLB (0.39) MAPTKMT2AABL1SRCPIK3CD
SCHEMBL6812741 0.81 PIK3CD (0.36) MAPTPIK3CDLMNAHPGDNPC1
SCHEMBL4792837 0.80 PIK3CD (0.34) MAPTKMT2APIK3CDNPC1RAB9A
SCHEMBL5793236 0.79 PIK3CD (0.35) FFAR1MAPTKMT2AALPLABL1
SCHEMBL6808606 0.79 PIK3CD (0.36) PIK3CDKDRNPC1RAB9A
SCHEMBL6808614 0.79 POLB (0.40) MAPTKMT2AABL1SRCLMNA

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 FFAR1 314/4885MAPT 3989/4885KMT2A 2968/4885
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation PI4KB, PIK3CA, PI4KA FFAR1 1818/4885MAPT 4026/4885KMT2A 3296/4885

“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.