SCHEMBL126902

SCHEMBL126902

CCOP(=O)(O)CC(=O)CCc1sc2ccccc2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.43
MAPT P10636 10/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
THRB P10828 1/20 0.40
RXFP1 Q9HBX9 3/20 0.40
TP53 P04637 2/20 0.40
OGG1 O15527 1/20 0.40
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MCL1 Q07820 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL126901 0.82 LOXL2 (0.44) CD274MAPTALDH1A1MEN1KMT2A
SCHEMBL660460 0.74 LOXL2 (0.51) CD274MAPTALDH1A1MEN1KMT2A
SCHEMBL3190831 0.73 ALDH1A1 (0.46) ALDH1A1KMT2A
SCHEMBL13179819 0.67 LOXL2 (0.61) CD274MAPTALDH1A1MEN1KMT2A
SCHEMBL1254026 0.67 LOXL2 (0.76) CD274MAPTALDH1A1MEN1KMT2A
SCHEMBL17921221 0.67 LOXL2 (0.65) CD274MAPTALDH1A1MEN1KMT2A
SCHEMBL18807670 0.67 LOXL2 (0.56) CD274MAPTALDH1A1MEN1KMT2A
SCHEMBL11959206 0.66 LOXL2 (0.69) CD274MAPTALDH1A1MEN1KMT2A
SCHEMBL11210513 0.66 LOXL2 (0.59) CD274MAPTALDH1A1MEN1KMT2A
SCHEMBL7672748 0.66 PPARD (0.32)

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 CD274 4236/4885MAPT 4429/4885ALDH1A1 1227/4885
US-20030105155-A1 Prostanoic acid derivatives as agents for lowering intraocular pressure PTGIR, PTGS2, CBR1 CD274 4241/4885MAPT 4427/4885ALDH1A1 1200/4885

“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.