SCHEMBL4768277

SCHEMBL4768277

COc1cc2sc(C(=O)O)c(SCC3CCCCC3)c2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 2/20 0.43
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
DYRK1A Q13627 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
EDNRA P25101 1/20 0.36
METAP2 P50579 1/20 0.36
PDE10A Q9Y233 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AR P10275 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ACHE P22303 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL4768124 0.94 STING1 (0.45) STING1EDNRAARACHE
SCHEMBL4766147 0.85 EDNRA (0.45) DYRK1APARP15PARP10EDNRATDP1
SCHEMBL4762820 0.82 STING1 (0.43) STING1ALDH1A1DYRK1AEDNRAKMT2A
SCHEMBL4768131 0.81 STING1 (0.43) STING1KDM4EALDH1A1DYRK1AEDNRA
SCHEMBL6021540 0.78 STING1 (0.46) STING1KDM4EALDH1A1HSD17B10MAPT
SCHEMBL6021255 0.78 STING1 (0.46) STING1KDM4EALDH1A1HSD17B10MAPT
SCHEMBL5224507 0.78 NMT1 (0.45) STING1ALDH1A1TSHRMEN1KMT2A
SCHEMBL6020839 0.77 STING1 (0.47) STING1KDM4EALDH1A1HSD17B10MAPT
SCHEMBL4762895 0.76 NPC1 (0.42) STING1KDM4EALDH1A1HSD17B10MAPT
SCHEMBL4771792 0.75 DYRK1A (0.36) STING1DYRK1AEDNRAMEN1KMT2A

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 14 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
EP-1636212-B1 CYCLOALKYLSULFANYL SUBSTITUTED BENZO¬B|THIOPHENES AS THERAPEUTIC AGENTS WARNER LAMBERT CO (US) 2007-06-27 EP claimed
WO-2006089106-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2006-08-24 WO claimed
EP-1636212-A1 CYCLOALKYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2006-03-22 EP claimed
WO-2004108714-A1 CYCLOALKYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO claimed
US-20040248954-A1 Cycloalkylsulfanyl 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
EP-1636212-B1 CYCLOALKYLSULFANYL SUBSTITUTED BENZO¬B|THIOPHENES AS THERAPEUTIC AGENTS WARNER LAMBERT CO (US) 2007-06-27 EP disclosed
WO-2006089106-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2006-08-24 WO disclosed
EP-1636212-A1 CYCLOALKYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2006-03-22 EP disclosed
WO-2004108714-A1 CYCLOALKYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO disclosed
US-20040248954-A1 Cycloalkylsulfanyl 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-20040248954-A1 Cycloalkylsulfanyl substituted benzo[b]thiophenes as therapeutic agents MALT1, BPNT1, CYP1B1 STING1 2995/4885KDM4E 3607/4885ALDH1A1 265/4885
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation PI4KB, PIK3CA, PI4KA STING1 915/4885KDM4E 2527/4885ALDH1A1 3844/4885

“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.