SCHEMBL3560856

SCHEMBL3560856

CCON=CC1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
PREP P48147 3/20 0.49
ACE2 Q9BYF1 1/20 0.48
GFER P55789 1/20 0.48
ELANE P08246 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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 SCHEMBL3566620 0.99 TSHR (0.50) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL9703312 0.84 PREP (0.60) TSHRL3MBTL1PREPGFERNPSR1
SCHEMBL9703304 0.84 PREP (0.60) TSHRL3MBTL1PREPGFERNPSR1
SCHEMBL24667753 0.82 PREP (0.54) PREPACE2ELANESMN1; SMN2
SCHEMBL28826460 0.82 PREP (0.54) PREPACE2ELANESMN1; SMN2
SCHEMBL2198876 0.82 PREP (0.56) TSHRL3MBTL1PREPACE2NPSR1
SCHEMBL2198909 0.82 PREP (0.56) TSHRL3MBTL1PREPACE2NPSR1
SCHEMBL2195118 0.82 PREP (0.56) TSHRL3MBTL1PREPACE2NPSR1
SCHEMBL1355706 0.81 KLK7 (0.49) TSHRL3MBTL1KDM4ELMNANPSR1
SCHEMBL1355709 0.81 KLK7 (0.49) TSHRL3MBTL1KDM4ELMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-20090318445-A1 PDF INHIBITORS NORVARTIS AG (CH) 2009-12-24 US disclosed
EP-1973898-A1 PDF INHIBITORS Novartis AG (CH) 2008-10-01 EP disclosed
EP-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
WO-2007077186-A1 PDF INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO disclosed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 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 (2 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-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 TSHR 788/4885L3MBTL1 4819/4885KDM4E 1567/4885
US-20090318445-A1 PDF INHIBITORS PDF, TIMP3, MMP2 TSHR 4054/4885L3MBTL1 3997/4885KDM4E 574/4885

“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.