SCHEMBL4762895

SCHEMBL4762895

COc1cc2sc(C(=O)O)c(OCCCC3CCCCC3)c2cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 4/20 0.42
STING1 Q86WV6 2/20 0.41
FKBP1A P62942 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
PDGFRA P16234 2/20 0.38
KIT P10721 1/20 0.38
PDGFRB P09619 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PLK1 P53350 1/20 0.38
DYRK1A Q13627 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL4766154 0.93 PIK3CD (0.42) NPC1RAB9AHPGDSTING1FKBP1A
SCHEMBL6020606 0.89 STING1 (0.44) HPGDSTING1PDGFRAKITACHE
SCHEMBL6021540 0.88 STING1 (0.46) STING1TDP1KDM4EALDH1A1HSD17B10
SCHEMBL6021255 0.88 STING1 (0.46) STING1TDP1KDM4EALDH1A1HSD17B10
SCHEMBL6020839 0.86 STING1 (0.47) STING1TDP1KDM4EALDH1A1HSD17B10
SCHEMBL6021329 0.84 STING1 (0.47) STING1TDP1PLK1DYRK1AACHE
SCHEMBL6021022 0.82 STING1 (0.49) STING1KDM4EALDH1A1PLK1DYRK1A
SCHEMBL6020201 0.80 KMT2A (0.51) STING1KMT2APDGFRAPDGFRBDYRK1A
SCHEMBL4768114 0.80 KMT2A (0.51) STING1KMT2APDGFRAPDGFRBDYRK1A
SCHEMBL6021010 0.80 KMT2A (0.51) STING1KMT2APDGFRAPDGFRBDYRK1A

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-1636210-A1 CYCLOALKYL AND HETEROCYCLOALKYL SUBSTITUTED BENZOTHIOPHENES AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2006-03-22 EP claimed
US-20050020630-A1 Cycloalkyl and heterocycloalkyl substituted benzothiophenes as therapeutic agents CONNOLLY MICHAEL KEVIN (US) 2005-01-27 US claimed
WO-2004108713-A1 CYCLOALKYL AND HETEROCYCLOALKYL SUBSTITUTED BENZOTHIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO 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-1636210-A1 CYCLOALKYL AND HETEROCYCLOALKYL SUBSTITUTED BENZOTHIOPHENES AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2006-03-22 EP disclosed
US-20050020630-A1 Cycloalkyl and heterocycloalkyl substituted benzothiophenes as therapeutic agents CONNOLLY MICHAEL KEVIN (US) 2005-01-27 US disclosed
WO-2004108713-A1 CYCLOALKYL AND HETEROCYCLOALKYL SUBSTITUTED BENZOTHIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 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-20050020630-A1 Cycloalkyl and heterocycloalkyl substituted benzothiophenes as therapeutic agents MALT1, CYP1B1, WEE2 NPC1 1571/4885RAB9A 4333/4885HPGD 2531/4885
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation PI4KB, PIK3CA, PI4KA NPC1 3415/4885RAB9A 2159/4885HPGD 1972/4885

“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.