SCHEMBL126901

SCHEMBL126901

COP(=O)(CC(=O)CCc1sc2ccccc2c1Cl)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.44
CD274 Q9NZQ7 1/20 0.42
OGG1 O15527 1/20 0.42
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
THRB P10828 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPT P10636 9/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL126902 0.82 CD274 (0.43) LOXL2CD274OGG1ALDH1A1HPGD
SCHEMBL660460 0.79 LOXL2 (0.51) LOXL2CD274OGG1ALDH1A1HPGD
SCHEMBL6748902 0.76 POLB (0.33) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL6748905 0.72 CYP2A6 (0.44) LOXL2HDAC1HDAC8HDAC6CYP1A2
SCHEMBL11399086 0.72 PLAAT3 (0.41) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL18807670 0.72 LOXL2 (0.56) LOXL2CD274OGG1ALDH1A1HPGD
SCHEMBL187684 0.71 ALOX5 (0.51) ALDH1A1HDAC8HDAC6LMNANPC1
SCHEMBL17921221 0.69 LOXL2 (0.65) LOXL2CD274OGG1ALDH1A1THRB
SCHEMBL11389460 0.69 F2RL1 (0.45) ALDH1A1HDAC1HDAC8HDAC6MEN1
SCHEMBL11396194 0.68 FFAR1 (0.45) ALDH1A1HPGDTHRBMEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390036-B1 PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN INC (US) 2012-03-07 EP disclosed
EP-1390036-A1 PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE Allergan, Inc. (US) 2004-02-25 EP disclosed
US-6670485-B2 Vision disorders ALLERGAN, INC. 2003-12-30 US disclosed
US-20030105155-A1 Prostanoic acid derivatives as agents for lowering intraocular pressure ALLERGAN SALES, INC. 2003-06-05 US disclosed
US-6531504-B2 Such as (Z)-7-((1R,2R,3R)-2-((E)-(S)-5-(3-Chlorobenzo(b) thiophen-2-yl)-3-hydroxypent-1-enyl)-3-hydroxy-5-oxocyclopentyl)hept-5-enoic acid for treatment of hypertension and/or glaucoma ALLERGAN, INC. 2003-03-11 US disclosed
US-20020177620-A1 Prostanoic acid derivatives as agents for lowering intraocular pressure ALLERGAN SALES, INC. 2002-11-28 US disclosed
WO-2002092099-A1 PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2002-11-21 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-20020177620-A1 Prostanoic acid derivatives as agents for lowering intraocular pressure PTGIR, PTGS2, CBR1 LOXL2 420/4885CD274 4236/4885OGG1 1489/4885
US-20030105155-A1 Prostanoic acid derivatives as agents for lowering intraocular pressure PTGIR, PTGS2, CBR1 LOXL2 411/4885CD274 4241/4885OGG1 1476/4885

“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.