SCHEMBL1715035

SCHEMBL1715035

NOCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 16/20 0.59
AGXT P21549 10/20 0.55
CYP3A4 P08684 2/20 0.48

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
Hydrochloric Acid SCHEMBL1715405 0.98 IDO1 (0.60) IDO1AGXTCYP3A4
SCHEMBL28780545 0.83 TSHR (0.47)
SCHEMBL513287 0.79 ALDH1A1 (0.45)
SCHEMBL513288 0.79 GRIN2B (0.50)
SCHEMBL13141037 0.79 IDO1 (0.61) IDO1AGXTCYP3A4
SCHEMBL106741 0.78 HTR2C (0.54)
SCHEMBL2092054 0.78 SLC6A4 (0.56)
SCHEMBL290512 0.78 ALDH1A1 (0.44)
SCHEMBL5921896 0.77 MAOB (0.70)
SCHEMBL1715046 0.77 IDO1 (0.61) IDO1AGXTCYP3A4

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 17 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
CN-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 CN claimed
US-20040248313-A1 Process for production of collection columns for carbonyl compounds SUMITOMO CHEMICAL ANALYSIS SERVICE, LTD. (JP) 2004-12-09 US claimed
EP-1431760-A1 PROCESS FOR PRODUCTION OF COLLECTION COLUMNS FOR CARBONYL COMPOUNDS SUMIKA CHEMICAL ANALYSIS SERVICE, LTD. (JP) 2004-06-23 EP claimed
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
WO-2006037496-A1 POLYHALOGENATED PROPENE BENZOQUINONE DIOXIME DERIVATIVES AND ITS USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2006-04-13 WO disclosed
US-20040248313-A1 Process for production of collection columns for carbonyl compounds SUMITOMO CHEMICAL ANALYSIS SERVICE, LTD. (JP) 2004-12-09 US disclosed
EP-1431760-A1 PROCESS FOR PRODUCTION OF COLLECTION COLUMNS FOR CARBONYL COMPOUNDS SUMIKA CHEMICAL ANALYSIS SERVICE, LTD. (JP) 2004-06-23 EP 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 IDO1 3029/4885AGXT 131/4885CYP3A4 3344/4885

“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.