SCHEMBL660561

SCHEMBL660561

CC(C)(C)[Si](C)(C)OC(C=CI)CCc1sc2ccccc2c1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.39
PTGER4 P35408 7/20 0.37
HPGD P15428 3/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
TP53 P04637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
OGG1 O15527 1/20 0.30
MCL1 Q07820 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
APEX1 P27695 1/20 0.30

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
SCHEMBL660560 1.00 LOXL2 (0.39) LOXL2PTGER4HPGDALDH1A1NPC1
SCHEMBL17256209 0.89 LOXL2 (0.41) LOXL2PTGER4HPGDALDH1A1NPC1
SCHEMBL17256208 0.89 LOXL2 (0.41) LOXL2PTGER4HPGDALDH1A1NPC1
SCHEMBL15111335 0.84 LOXL2 (0.43) LOXL2PTGER4ALDH1A1CD274KDM4E
SCHEMBL15759413 0.82 LOXL2 (0.44) LOXL2PTGER4HPGDALDH1A1NPC1
SCHEMBL5116926 0.79 LOXL2 (0.38) LOXL2PTGER4CD274MAPT
SCHEMBL662349 0.78 LOXL2 (0.41) LOXL2PTGER4HPGDALDH1A1NPC1
SCHEMBL4415054 0.77 AGXT (0.40) LOXL2
SCHEMBL16269988 0.77 LOXL2 (0.42) LOXL2PTGER4ALDH1A1CD274KDM4E
SCHEMBL4415050 0.77 AGXT (0.40) LOXL2

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2803358-B1 10,10-Dialkyl prostanoic acid derivatives as agents for lowering intraocular pressure ALLERGAN INC (US) 2017-05-03 EP disclosed
US-9637467-B2 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2017-05-02 US disclosed
US-20160096817-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ALLERGAN, INC. 2016-04-07 US disclosed
US-9156810-B2 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2015-10-13 US disclosed
US-9005605-B2 Compositions and soft tissue replacement methods ALLERGAN, INC. (US) 2015-04-14 US disclosed
US-8926963-B2 Compositions and soft tissue replacement methods ALLERGAN, INC. (US) 2015-01-06 US disclosed
US-8900571-B2 Compositions and soft tissue replacement methods ALLERGAN, INC. (US) 2014-12-02 US disclosed
US-8894992-B2 Compositions and soft tissue replacement methods ALLERGAN, INC. (US) 2014-11-25 US disclosed
EP-2803358-A1 10,10-Dialkyl prostanoic acid derivatives as agents for lowering intraocular pressure ALLERGAN, INC. (US) 2014-11-19 EP disclosed
US-8889123-B2 Compositions and soft tissue replacement methods ALLERGAN, INC. (US) 2014-11-18 US disclosed
WO-2006055481-A1 2,3,4-SUBSTITUTED CYCLOPENTANONES AS THERAPEUTIC AGENTS ALLERGAN , INC. (US) 2006-05-26 WO disclosed
US-20060106088-A1 2,3,4-Substituted cyclopentanones as therapeutic agents ALLERGAN, INC. (US) 2006-05-18 US disclosed
US-7015243-B2 Cyclohexyl prostaglandin analogs as EP4-receptor agonists ALLERGAN, INC. (US) 2006-03-21 US disclosed
EP-1608309-A2 10,10-DIALKYL PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE Allergan, Inc. (US) 2005-12-28 EP disclosed
US-20050164992-A1 Treating inflammatory bowel disease by administering prostaglandin derivatives such as (3-{(1R,4S,5S)-5-(3-chloro-benzo[b]thiophen-2-yl)-3-hydroxy-pent-1-enyl]-4-hydroxy-3,3-dimethyl-2-oxo-cyclopentylsulfanyl}-propylsulfanyl)-acetic acid methyl ester ALLERGAN, INC. (US) 2005-07-28 US disclosed
US-6875787-B2 10,10-dialkyl prostanoic acid derivatives as agents for lowering intraocular pressure ALLERGAN, INC. (US) 2005-04-05 US disclosed
US-20050049227-A1 Cyclohexyl prostaglandin analogs as EP4-receptor agonists ALLERGAN, INC. 2005-03-03 US disclosed
US-20040235958-A1 10,10-dialkyl prostanoic acid derivatives as agents for lowering intraocular pressure ALLERGAN, INC. 2004-11-25 US disclosed
WO-2004071428-A2 10,10-DIALKYL PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2004-08-26 WO disclosed
US-20040157901-A1 10,10-DIALKYL PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. 2004-08-12 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 (6 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-20160096817-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE SLC10A2, FABP2, LTB4R2 LOXL2 1207/4885PTGER4 228/4885HPGD 190/4885
US-20050164992-A1 Treating inflammatory bowel disease by administering prostaglandin derivatives such as (3-{(1R,4S,5S)-5-(3-chloro-benzo[b]thiophen-2-yl)-3-hydroxy-pent-1-enyl]-4-hydroxy-3,3-dimethyl-2-oxo-cyclopentylsulfanyl}-propylsulfanyl)-acetic acid methyl ester PTGER1, PTGES, PTGS1 LOXL2 378/4885PTGER4 15/4885HPGD 35/4885
US-20050049227-A1 Cyclohexyl prostaglandin analogs as EP4-receptor agonists PTGER4, PTGER1, PTGIR LOXL2 1068/4885PTGER4 1/4885HPGD 368/4885
US-20060106088-A1 2,3,4-Substituted cyclopentanones as therapeutic agents CYCS, CA6, COX6C LOXL2 1496/4885PTGER4 663/4885HPGD 1504/4885
US-20040157901-A1 10,10-DIALKYL PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE PTGIR, CBR1, DECR1 LOXL2 429/4885PTGER4 85/4885HPGD 212/4885
US-20040235958-A1 10,10-dialkyl prostanoic acid derivatives as agents for lowering intraocular pressure PTGIR, CBR1, DECR1 LOXL2 382/4885PTGER4 174/4885HPGD 299/4885

“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.