SCHEMBL2706071

SCHEMBL2706071

CCCCCCCCCC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.60
▸ CTSS P25774 3/20 0.60
▸ NOD1 Q9Y239 1/20 0.51

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
SCHEMBL1926493 1.00 CTSK (0.60) CTSKCTSSNOD1
SCHEMBL17356699 1.00 CTSK (0.60) CTSKCTSSNOD1
SCHEMBL6818249 1.00 CTSK (0.60) CTSKCTSSNOD1
SCHEMBL7547359 1.00 CTSK (0.60) CTSKCTSSNOD1
SCHEMBL7550254 1.00 CTSK (0.60) CTSKCTSSNOD1
SCHEMBL16939058 1.00 CTSK (0.60) CTSKCTSSNOD1
SCHEMBL7547354 1.00 CTSK (0.60) CTSKCTSSNOD1
SCHEMBL9743599 1.00 CTSK (0.60) CTSKCTSSNOD1
SCHEMBL7839929 1.00 CTSK (0.60) CTSKCTSSNOD1
SCHEMBL7555646 1.00 CTSK (0.60) CTSKCTSSNOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541851-A1 SULPHATED HYALURONIC ACIDS FUNCTIONALISED WITH DOPAMINE Fidia Farmaceutici S.p.A. (IT) 2019-09-25 — — EP disclosed
WO-2018092013-A1 SULPHATED HYALURONIC ACIDS FUNCTIONALISED WITH DOPAMINE FIDIA FARMACEUTICI S.P.A. (IT) 2018-05-24 — — WO disclosed
EP-2448930-A1 COVALENT INHIBITION OF BACTERIAL QUORUM SENSING The National Institute for Biotechnology in the Negev Ltd. (IL) 2012-05-09 — — EP disclosed
WO-2009136965-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. (US) 2009-11-12 — — WO disclosed
WO-2008102127-A2 GEL FORMING COMPOUNDS PLIVA HRVATSKA D.O.O. (HR) 2008-08-28 — — WO disclosed
US-7381717-B2 Anti-HIV agents with dual sites of action MEHARRY MEDICAL COLLEGE (US) 2008-06-03 — — US disclosed
US-20060135495-A1 Anti-HIV agents with dual sites of action CHEN CHIN H 2006-06-22 — — US disclosed
US-7026305-B2 Anti-HIV agents with dual sites of action MEHARRY MEDICAL COLLEGE (US) 2006-04-11 — — US disclosed
US-20040204389-A1 Anti-HIV agents with dual sites of action MEHARRY MEDICAL COLLEGE 2004-10-14 — — 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-20060135495-A1 Anti-HIV agents with dual sites of action SAMHD1, EIF2AK2, HAVCR2 CTSK 1339/4885CTSS 525/4885NOD1 2979/4885
US-20040204389-A1 Anti-HIV agents with dual sites of action CCR5, HAVCR2, SAMHD1 CTSK 1272/4885CTSS 486/4885NOD1 2648/4885

“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.

Send feedback