SCHEMBL1714857

SCHEMBL1714857

COC(=O)c1cc(CNc2ccccc2C(=O)O)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 3/20 0.56
POLB P06746 2/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PLK1 P53350 1/20 0.51
KDM4E B2RXH2 5/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.45
HTR6 P50406 1/20 0.45
ACLY P53396 2/20 0.45
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
SCD O00767 2/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
WDR5 P61964 1/20 0.42

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
SCHEMBL15761758 0.88 KDM4E (0.48) ALDH1A1HPGDHSD17B10L3MBTL1KDM4E
SCHEMBL1715661 0.84 NPC1 (0.47) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL1715285 0.81 CYP1A2 (0.46) ALDH1A1HPGDHSD17B10L3MBTL1KDM4E
SCHEMBL1716300 0.79 KDM4E (0.43) ALDH1A1HPGDHSD17B10POLBKDM4E
SCHEMBL28557137 0.79 ALDH1A1 (0.51) ALDH1A1HPGDL3MBTL1KDM4EGLA
SCHEMBL1715126 0.79 MAPT (0.60) ALDH1A1HPGDHSD17B10POLBCTDSP1
SCHEMBL1716299 0.78 KDM4E (0.42) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL15755350 0.78 KDM4E (0.48) ALDH1A1HPGDHSD17B10POLBL3MBTL1
SCHEMBL22854454 0.78 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10POLBCTDSP1
SCHEMBL1715559 0.78 NPC1 (0.48) ALDH1A1HPGDHSD17B10POLBCTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US claimed
WO-2018044136-A1 NOVEL COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH POLY(ADP-RIBOSE) POLYMERASE-1 (PARP-1) 충남대학교 산학협력단 2018-03-08 WO disclosed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed
CN-1906155-B Novel hydroxamic acid ester derivant and pharmaceutical use thereof LEO PHARMA AS 2010-06-23 CN disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
CN-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 CN disclosed
EP-1697312-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2006-09-06 EP disclosed
WO-2005054179-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2005-06-16 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 (1 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-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 ALDH1A1 804/4885HPGD 301/4885HSD17B10 249/4885

“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.