SCHEMBL4766154

SCHEMBL4766154

COc1cc2c(OCCCC3CCCCC3)c(C(=O)O)sc2cc1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.42
HPGD P15428 6/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
FKBP1A P62942 1/20 0.38
STING1 Q86WV6 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ELANE P08246 1/20 0.36
DYRK1A Q13627 1/20 0.36
EHMT2 Q96KQ7 1/20 0.35
SCN9A Q15858 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
SCHEMBL4762895 0.93 NPC1 (0.42) HPGDNPC1RAB9AFKBP1ASTING1
SCHEMBL6529722 0.82 PIK3CD (0.65) PIK3CDHPGDNPC1RAB9ATDP1
SCHEMBL4764586 0.82 KMT2A (0.48) PIK3CDSTING1DYRK1A
SCHEMBL6020606 0.82 STING1 (0.44) HPGDSTING1SCN9A
SCHEMBL4762952 0.82 KMT2A (0.48) PIK3CDSTING1DYRK1A
SCHEMBL6021255 0.81 STING1 (0.46) STING1TDP1ELANEDYRK1A
SCHEMBL6021540 0.81 STING1 (0.46) STING1TDP1ELANEDYRK1A
SCHEMBL5217692 0.81 PARP10 (0.46) PIK3CDELANEDYRK1A
SCHEMBL6020839 0.79 STING1 (0.47) PIK3CDSTING1TDP1ELANEDYRK1A
SCHEMBL5215684 0.77 PIK3CD (0.40) PIK3CDNPC1RAB9AELANEDYRK1A

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 PIK3CD 2873/4885HPGD 2531/4885NPC1 1571/4885
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation PI4KB, PIK3CA, PI4KA PIK3CD 4/4885HPGD 1972/4885NPC1 3415/4885

“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.