SCHEMBL4190771

SCHEMBL4190771

CCCCC[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
APLNR P35414 2/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
SLC2A1 P11166 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.31
SLC6A4 P31645 1/20 0.31
MGLL Q99685 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1473224 1.00 CA2 (0.47) CA2APLNRTP53MAPTCYP1A2
SCHEMBL4191651 1.00 CA2 (0.47) CA2APLNRTP53MAPTCYP1A2
SCHEMBL14510201 0.87 CA2 (0.48) CA2SLC2A1
SCHEMBL5734584 0.87 CA2 (0.40) CA2APLNRCYP1A2CYP2D6ALDH1A1
SCHEMBL5732344 0.86 CA2 (0.39) CA2APLNRALDH1A1SLC6A4KDM4E
SCHEMBL8695498 0.86 CA2 (0.50) CA2MAPTCYP1A2SLC2A1ALDH1A1
SCHEMBL8694969 0.85 CA2 (0.49) CA2MAPTALDH1A1
SCHEMBL1471822 0.83 CA2 (0.46) CA2SLC2A1
SCHEMBL1471675 0.83 CA2 (0.46) CA2SLC2A1
SCHEMBL9645914 0.82 CA2 (0.35) CA2APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796696-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2017-10-24 US disclosed
US-9796696-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2017-10-24 US disclosed
EP-2888250-B1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED GAMMA LACTAMS ALLERGAN INC (US) 2017-07-19 EP disclosed
EP-2888250-B1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED GAMMA LACTAMS ALLERGAN INC (US) 2017-07-19 EP disclosed
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. 2017-03-02 US disclosed
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. 2017-03-02 US disclosed
US-9365485-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2016-06-14 US disclosed
US-9365485-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2016-06-14 US disclosed
EP-2888250-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED GAMMA LACTAMS ALLERGAN, INC. (US) 2015-07-01 EP disclosed
US-8962863-B2 Process for the synthesis of substituted gamma lactams ALLERGAN, INC. (US) 2015-02-24 US disclosed
US-20100093809-A1 THERAPEUTIC SUBSTITUTED THIAZOLIDINONES, OXAZOLIDINONES, AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2010-04-15 US disclosed
US-7659295-B2 5-(3-(3-(4-(1-hydroxyhexyl)phenyl)-4-oxo-thiazolidin-2-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agents; post-surgical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts ALLERGAN, INC. (US) 2010-02-09 US disclosed
US-20090054505-A1 THERAPEUTIC OXAZOLIDINONES AND THIAZOLIDINONES ALLERGAN, INC. (US) 2009-02-26 US disclosed
EP-1716113-B1 EP2- RECEPTOR AGONISTS ASTERAND UK LTD (GB) 2009-02-25 EP disclosed
US-20080058387-A1 5-(3-(3-(4-(1-hydroxyhexyl)phenyl)-4-oxo-thiazolidin-2-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agents; post-surgical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts ALLERGAN, INC. 2008-03-06 US disclosed
US-20080045596-A1 Ep2 Receptor Agonists ASTERAND, INC. 2008-02-21 US disclosed
US-20080045596-A1 Ep2 Receptor Agonists ASTERAND, INC. 2008-02-21 US disclosed
EP-1716113-A1 EP2- RECEPTOR AGONISTS ASTERAND UK LIMITED (GB) 2006-11-02 EP disclosed
US-20050209336-A1 EP2 receptor agonists ASTERAND, INC. 2005-09-22 US disclosed
WO-2005061449-A1 EP2 RECEPTOR AGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-07-07 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 (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-20050209336-A1 EP2 receptor agonists PTGER2, PTGER1, PTGER3 CA2 875/4885APLNR 264/4885TP53 3557/4885
US-20090054505-A1 THERAPEUTIC OXAZOLIDINONES AND THIAZOLIDINONES ABAT, MT-ND4L, THPO CA2 1933/4885APLNR 4621/4885TP53 3309/4885
US-20100093809-A1 THERAPEUTIC SUBSTITUTED THIAZOLIDINONES, OXAZOLIDINONES, AND RELATED COMPOUNDS THPO, MT-ND4L, ABAT CA2 2396/4885APLNR 4357/4885TP53 1782/4885
US-20080058387-A1 5-(3-(3-(4-(1-hydroxyhexyl)phenyl)-4-oxo-thiazolidin-2-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agents; post-surgical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts PTGIS, PTGIR, PTGS1 CA2 338/4885APLNR 3069/4885TP53 3812/4885
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 CA2 3900/4885APLNR 3494/4885TP53 1316/4885
US-20080045596-A1 Ep2 Receptor Agonists PTGER2, PTGER1, PTGER3 CA2 875/4885APLNR 264/4885TP53 3557/4885

“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.