SCHEMBL1714780

SCHEMBL1714780

NOCC1CCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.39
SLC1A2 P43004 3/20 0.39
SLC1A1 P43005 3/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
LMNA P02545 1/20 0.39
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
CCNA1 P78396 3/20 0.38
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
MTOR P42345 1/20 0.37
KMT2A Q03164 1/20 0.37
ATR Q13535 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
SCHEMBL1715730 1.00 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1CTSLCTSB
SCHEMBL1703784 1.00
SCHEMBL21422321 1.00 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1CTSLCTSB
Hydrochloric Acid SCHEMBL1716126 0.97 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1CTSLCTSB
Hydrochloric Acid SCHEMBL1715851 0.97 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1CTSLCTSB
SCHEMBL1715475 0.97
Hydrochloric Acid SCHEMBL1715081 0.94
SCHEMBL693801 0.91
Hydrochloric Acid SCHEMBL1715903 0.88
SCHEMBL15295125 0.84 SLC1A3 (0.33) SLC1A3SLC1A2SLC1A1PARP15PARP10

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
JP-2007513098-A 2007-05-24 JP claimed
EP-1697312-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2006-09-06 EP claimed
WO-2005054179-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2005-06-16 WO 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
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
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 SLC1A3 1854/4885SLC1A2 2619/4885SLC1A1 1992/4885

“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.