SCHEMBL663236

SCHEMBL663236

C#CC(O)CCc1sc2ccccc2c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.51
MCL1 Q07820 1/20 0.39
PTGER4 P35408 7/20 0.38
OGG1 O15527 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
ASIC3 Q9UHC3 1/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX5 P09917 1/20 0.34
CYP2D6 P10635 1/20 0.33

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
SCHEMBL17256193 0.85 LOXL2 (0.54) LOXL2MCL1PTGER4OGG1HDAC1
SCHEMBL13014899 0.81 HRH1 (0.36) LOXL2MCL1CYP3A4CYP2D6HRH1
SCHEMBL11886897 0.77 LOXL2 (0.51) LOXL2MCL1PTGER4OGG1HDAC1
SCHEMBL17921221 0.75 LOXL2 (0.65) LOXL2MCL1OGG1HDAC1HDAC8
SCHEMBL662349 0.73 LOXL2 (0.41) LOXL2PTGER4CD274MEN1ALDH1A1
SCHEMBL660485 0.72 LOXL2 (0.61) LOXL2MCL1OGG1HDAC1HDAC8
SCHEMBL1254026 0.72 LOXL2 (0.76) LOXL2MCL1OGG1HDAC1HDAC8
SCHEMBL27296293 0.72 LOXL2 (0.65) LOXL2MCL1OGG1HDAC1HDAC8
SCHEMBL658865 0.71 LOXL2 (0.69) LOXL2MCL1OGG1HDAC1HDAC8
SCHEMBL5309758 0.70 LOXL2 (0.38) LOXL2PTGER4CD274MEN1ALDH1A1

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 75 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-9334262-B2 Methods of treating soft tissue defects ALLERGAN, INC. (US) 2016-05-10 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
EP-2814527-A1 COMPOSITIONS AND IMPROVED SOFT TISSUE REPLACEMENT METHODS ALLERGAN, INC. (US) 2014-12-24 EP disclosed
EP-2814510-A1 COMPOSITIONS AND IMPROVED SOFT TISSUE REPLACEMENT METHODS ALLERGAN, INC. (US) 2014-12-24 EP disclosed
EP-2814526-A1 COMPOSITIONS AND IMPROVED SOFT TISSUE REPLACEMENT METHODS ALLERGAN, INC. (US) 2014-12-24 EP disclosed
WO-2006058063-A1 2,3,4-SUBSTITUTED-CYCLOPENTANONES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2006-06-01 WO disclosed
WO-2006055481-A1 2,3,4-SUBSTITUTED CYCLOPENTANONES AS THERAPEUTIC AGENTS ALLERGAN , INC. (US) 2006-05-26 WO disclosed
US-20060111430-A1 2,3,4-substituted cyclopentanones as therapeutic agents ALLERGAN, INC. (US) 2006-05-25 US disclosed
US-20060106088-A1 2,3,4-Substituted cyclopentanones as therapeutic agents ALLERGAN, INC. (US) 2006-05-18 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-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 1207/4885MCL1 4416/4885PTGER4 228/4885
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 378/4885MCL1 4166/4885PTGER4 15/4885
US-20060111430-A1 2,3,4-substituted cyclopentanones as therapeutic agents CYP11B2, CYP11B1, CYP4A11 LOXL2 1464/4885MCL1 1020/4885PTGER4 391/4885
US-20060106088-A1 2,3,4-Substituted cyclopentanones as therapeutic agents CYCS, CA6, COX6C LOXL2 1496/4885MCL1 601/4885PTGER4 663/4885
US-20040157901-A1 10,10-DIALKYL PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE PTGIR, CBR1, DECR1 LOXL2 429/4885MCL1 4180/4885PTGER4 85/4885
US-20040235958-A1 10,10-dialkyl prostanoic acid derivatives as agents for lowering intraocular pressure PTGIR, CBR1, DECR1 LOXL2 382/4885MCL1 4036/4885PTGER4 174/4885

“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.