SCHEMBL1682185

SCHEMBL1682185

CCOC(=O)C(Cc1ccc(Cl)cc1Cl)C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.60
CYP2C9 P11712 1/20 0.60
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
ADCY8 P40145 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC8 Q9BY41 4/20 0.40
EPHX1 P07099 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 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
SCHEMBL9978726 0.93 CYP3A4 (0.61) CYP3A4CYP2C9GAASMN1; SMN2LMNA
SCHEMBL11450832 0.90 CYP3A4 (0.58) CYP3A4CYP2C9GAASMN1; SMN2LMNA
SCHEMBL21526125 0.87 GAA (0.52) CYP3A4CYP2C9GAAALDH1A1L3MBTL1
SCHEMBL29660103 0.86 CYP3A4 (0.49) CYP3A4CYP2C9SMN1; SMN2LMNAALDH1A1
SCHEMBL15261862 0.86 CYP3A4 (0.55) CYP3A4CYP2C9GAASMN1; SMN2LMNA
SCHEMBL3776630 0.85 CYP3A4 (0.46) CYP3A4CYP2C9SMN1; SMN2LMNAALDH1A1
SCHEMBL28322156 0.83 HDAC8 (0.47) CYP3A4CYP2C9GAASMN1; SMN2TSHR
SCHEMBL3770643 0.83 CYP3A4 (0.44) CYP3A4CYP2C9GAASMN1; SMN2LMNA
SCHEMBL3344661 0.82 EPHX2 (0.47) CYP3A4CYP2C9GAALMNAALDH1A1
Hydrochloric Acid SCHEMBL27558225 0.80 CYP3A4 (0.57) CYP3A4CYP2C9HDAC8HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928457-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-12-12 EP disclosed
US-20120270819-A1 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASE SANOFI (FR) 2012-10-25 US disclosed
US-20120270819-A1 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASE SANOFI (FR) 2012-10-25 US disclosed
US-20120270819-A1 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASE SANOFI (FR) 2012-10-25 US disclosed
EP-2482823-A2 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASES SANOFI (FR) 2012-08-08 EP disclosed
WO-2011039338-A2 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASES SANOFI-AVENTIS (FR) 2011-04-07 WO disclosed
US-7858640-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-28 US disclosed
US-20100261664-A1 Novel heterocyclic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-10-14 US disclosed
US-20100261664-A1 Novel heterocyclic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-10-14 US disclosed
US-20100261664-A1 Novel heterocyclic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-10-14 US disclosed
WO-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO disclosed
US-20090156600-A1 Quinolines and Their Therapeutic Use GB005, INC. 2009-06-18 US disclosed
EP-1928457-A2 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Discovery Limited (GB) 2008-06-11 EP disclosed
WO-2007036743-A2 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2007-04-05 WO disclosed
US-20040259819-A1 Novel heterocyclic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-23 US disclosed
US-4122034-A 2-AMINO-3-ARYL-HETEROINDENES SCHERING CORPORATION (US) 1978-10-24 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 (4 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-20100261664-A1 Novel heterocyclic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof UGGT1, SLC5A2, SLC5A1 CYP3A4 235/4885CYP2C9 505/4885GAA 33/4885
US-20090156600-A1 Quinolines and Their Therapeutic Use NR3C1, NR3C2, NR1H3 CYP3A4 2853/4885CYP2C9 2182/4885GAA 4744/4885
US-20040259819-A1 Novel heterocyclic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof SLC5A1, UGGT1, SLC5A2 CYP3A4 199/4885CYP2C9 431/4885GAA 46/4885
US-20120270819-A1 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASE SLC5A1, SLC5A2, SOST CYP3A4 2336/4885CYP2C9 1893/4885GAA 902/4885

“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.