SCHEMBL660879

SCHEMBL660879

CC(C)(C)[Si](C)(C)OC(C=CI)Cc1cc2ccccc2s1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.42
CYP2A6 P11509 3/20 0.39
ADRB2 P07550 1/20 0.39
ASIC3 Q9UHC3 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CASR P41180 1/20 0.34
ADRA1D P25100 2/20 0.34
PTGER4 P35408 4/20 0.34
PTGER1 P34995 2/20 0.34
GLS O94925 1/20 0.33
CHRNA7 P36544 1/20 0.33
PTGER3 P43115 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
SCHEMBL660878 1.00 AGXT (0.42) AGXTCYP2A6ADRB2ASIC3LOXL2
SCHEMBL6844411 1.00 AGXT (0.42) AGXTCYP2A6ADRB2ASIC3LOXL2
SCHEMBL4415054 0.88 AGXT (0.40) AGXTCYP2A6ADRB2ASIC3LOXL2
SCHEMBL4415050 0.88 AGXT (0.40) AGXTCYP2A6ADRB2ASIC3LOXL2
SCHEMBL15200886 0.79 CYP2A6 (0.37) AGXTCYP2A6ADRB2ASIC3LOXL2
SCHEMBL15200887 0.79 CYP2A6 (0.37) AGXTCYP2A6ADRB2ASIC3LOXL2
SCHEMBL660877 0.78 CYP2A6 (0.36) AGXTCYP2A6ADRB2ASIC3LOXL2
SCHEMBL18022045 0.78 ALOX5 (0.37) AGXT
SCHEMBL662224 0.78 AGXT (0.43) AGXTCYP2A6ADRB2ASIC3LOXL2
SCHEMBL970714 0.78 HTR2A (0.41) CYP2A6CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-8889123-B2 Compositions and soft tissue replacement methods ALLERGAN, INC. (US) 2014-11-18 US disclosed
US-8883139-B2 Compositions and soft tissue replacement methods ALLERGAN INC. (US) 2014-11-11 US disclosed
US-20140179752-A1 METHODS OF TREATING SOFT TISSUE DEFECTS ALLERGAN, INC. (US) 2014-06-26 US disclosed
US-20120045420-A1 COMPOSITIONS AND IMPROVED SOFT TISSUE REPLACEMENT METHODS ALLERGAN, INC. (US) 2012-02-23 US disclosed
WO-2012024072-A1 COMPOSITIONS COMPRISING ADIPOSE TISSUE AND A PGE2 ANALOGUE AND THEIR USE IN THE TREATMENT OF A SOFT TISSUE CONDITION ALLERGAN, INC. (US) 2012-02-23 WO disclosed
US-20110172435-A1 Treatment Of Inflammatory Bowel Disease ALLERGAN, INC. (US) 2011-07-14 US disclosed
EP-1812387-B1 2,3,4-SUBSTITUTED CYCLOPENTANONES AS THERAPEUTIC AGENTS ALLERGAN INC (US) 2011-01-05 EP disclosed
US-7855226-B2 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) 2010-12-21 US disclosed
EP-1812387-A1 2,3,4-SUBSTITUTED CYCLOPENTANONES AS THERAPEUTIC AGENTS Allergan, Inc. (US) 2007-08-01 EP disclosed
US-7101906-B2 2,3,4-substituted cyclopentanones as therapeutic agents ALLERGAN, INC. (US) 2006-09-05 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-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

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-20140179752-A1 METHODS OF TREATING SOFT TISSUE DEFECTS TNNC1, COL2A1, ALPP AGXT 565/4885CYP2A6 4064/4885ADRB2 4794/4885
US-20160096817-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE SLC10A2, FABP2, LTB4R2 AGXT 999/4885CYP2A6 1608/4885ADRB2 639/4885
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 AGXT 958/4885CYP2A6 442/4885ADRB2 315/4885
US-20060106088-A1 2,3,4-Substituted cyclopentanones as therapeutic agents CYCS, CA6, COX6C AGXT 1981/4885CYP2A6 11/4885ADRB2 2452/4885
US-20110172435-A1 Treatment Of Inflammatory Bowel Disease SLC10A2, FABP2, LTB4R2 AGXT 999/4885CYP2A6 1608/4885ADRB2 639/4885
US-20120045420-A1 COMPOSITIONS AND IMPROVED SOFT TISSUE REPLACEMENT METHODS COL2A1, MATR3, TNNC1 AGXT 261/4885CYP2A6 2985/4885ADRB2 4833/4885

“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.