SCHEMBL1488965

SCHEMBL1488965

O=C(Cl)Cc1ccc(Cl)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
TP53 P04637 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
TBXA2R P21731 2/20 0.39
PTGS1 P23219 2/20 0.39
CYP2C19 P33261 2/20 0.39
PTGER1 P34995 2/20 0.39
PTGER3 P43115 2/20 0.39
PTGER2 P43116 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPARG P37231 4/20 0.38
PPARA Q07869 4/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL19045455 0.87 ERCC1 (0.46) ERCC1ERCC4TP53HTR1AHTR2A
SCHEMBL5266985 0.87 ICMT (0.46) ERCC1ERCC4TP53HTR1AHTR2A
SCHEMBL348979 0.85 KEAP1 (0.50) ERCC1ERCC4TP53HTR1AHTR2A
SCHEMBL29434734 0.85 KEAP1 (0.50) ERCC1ERCC4TP53HTR1AHTR2A
SCHEMBL19030836 0.83 ERCC1 (0.46) ERCC1ERCC4TP53HTR1AHTR2A
SCHEMBL835045 0.82 IDO1 (0.46) P2RX7
SCHEMBL31078296 0.82 IDO1 (0.46) P2RX7
SCHEMBL25244766 0.80 ERCC1 (0.43) ERCC1ERCC4TP53HTR1AHTR2A
SCHEMBL30321024 0.80 IDO1 (0.52) ERCC1ERCC4TP53CYP1A2CYP2C9
SCHEMBL657437 0.80 IDO1 (0.52) ERCC1ERCC4TP53CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016112088-A1 ARYLOXYACETYLINDOLES AND ANALOGS AS ANTIBIOTIC TOLERANCE INHIBITORS SPERO THERAPEUTICS, INC. (US) 2016-07-14 WO disclosed
WO-2016112088-A1 ARYLOXYACETYLINDOLES AND ANALOGS AS ANTIBIOTIC TOLERANCE INHIBITORS SPERO THERAPEUTICS, INC. (US) 2016-07-14 WO disclosed
US-8524715-B2 Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB (SE) 2013-09-03 US disclosed
US-20120220455-A1 Azolylmethyloxiranes, Their Use for Controlling Phytopathogenic Fungi and Compositions Comprising Them BASF SE (DE) 2012-08-30 US disclosed
EP-1817282-B1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-07-20 EP disclosed
WO-2011035900-A1 NEW THIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-03-31 WO disclosed
US-20090305887-A1 Azolylmethyloxiranes, Their Use for Controlling Phytopathogenic Fungi and Compositions Comprising Them BASF SE (DE) 2009-12-10 US disclosed
CN-101472919-A Azolylmethyloxiranes, use thereof for controlling phytopathogenic fungi and compositions comprising the same BASF SE (DE) 2009-07-01 CN disclosed
US-20090149448-A1 Phenoxyacetic Acid Derivatives Useful for Treating Respiratory Diseases ASTRAZENECA AB (SE) 2009-06-11 US disclosed
EP-1817282-A1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES AstraZeneca AB (SE) 2007-08-15 EP disclosed
WO-2006056752-A1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2006-06-01 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 (3 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-20090305887-A1 Azolylmethyloxiranes, Their Use for Controlling Phytopathogenic Fungi and Compositions Comprising Them CBR3, PFAS, CBR1 ERCC1 3494/4885ERCC4 2669/4885TP53 3238/4885
US-20090149448-A1 Phenoxyacetic Acid Derivatives Useful for Treating Respiratory Diseases PAOX, PCCA, PAH ERCC1 4691/4885ERCC4 4630/4885TP53 3661/4885
US-20120220455-A1 Azolylmethyloxiranes, Their Use for Controlling Phytopathogenic Fungi and Compositions Comprising Them CBR3, PFAS, CBR1 ERCC1 3494/4885ERCC4 2669/4885TP53 3238/4885

“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.