SCHEMBL625401

SCHEMBL625401

CC(NC(=O)OCc1ccccc1)NC(C)NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.61
CTSK P43235 7/20 0.58
CTSS P25774 7/20 0.58
CTSL P07711 6/20 0.58
CTSB P07858 4/20 0.58
CTRB1 P17538 2/20 0.57
ELANE P08246 2/20 0.57
PRTN3 P24158 1/20 0.53

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
SCHEMBL8041576 0.93 ATM (0.64) ATMCTSKCTSSCTSLCTSB
SCHEMBL20645281 0.89 ATM (0.59) ATMCTSKCTSSCTSLCTSB
SCHEMBL2059369 0.87 TRPM8 (0.57) ATMCTSKCTSSCTSLCTSB
SCHEMBL30946598 0.87 CTSK (0.61) ATMCTSKCTSSCTSLCTSB
SCHEMBL15080869 0.87 CTSK (0.61) ATMCTSKCTSSCTSLCTSB
SCHEMBL308291 0.86 ATM (0.64) ATMCTSKCTSSCTSLCTSB
SCHEMBL5075275 0.85 CTSK (0.60) ATMCTSKCTSSCTSLCTSB
SCHEMBL7674223 0.85 MAPT (0.61) ATMCTSKCTSSCTSLCTSB
SCHEMBL5412160 0.85 MAPT (0.61) ATMCTSKCTSSCTSLCTSB
SCHEMBL939737 0.85 MAPT (0.61) ATMCTSKCTSSCTSLCTSB

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957507-B1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS IONIS PHARMACEUTICALS INC (US) 2018-10-24 EP disclosed
US-8569264-B2 Antibacterial 4,5-substituted aminoglycoside analogs having multiple substituents ISIS PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20130005674-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 2013-01-03 US disclosed
US-8114856-B2 Antibacterial 4,5-substituted aminoglycoside analogs having multiple substituents ISIS PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-20110166334-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ISIS PHARMACEUTICALS,INC. (US) 2011-07-07 US disclosed
US-7943749-B2 Antimicrobial 2-deoxystreptamine compounds ISIS PHARMACEUTICALS, INC. (US) 2011-05-17 US disclosed
US-7893039-B2 Antibacterial 4,5-substituted aminoglycoside analogs having multiple substituents ISIS PHARMACEUTICALS, INC. (US) 2011-02-22 US disclosed
US-20080293649-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
US-20080045468-A1 ANTIMICROBIAL 2-DEOXYSTREPTAMINE COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2008-02-21 US disclosed
EP-1809645-A1 ANTIMICROBIAL 2-DEOXYSTREPTAMINE COMPOUNDS Isis Pharmaceuticals, Inc. (US) 2007-07-25 EP disclosed
US-5874061-A PARAMAGNETIC CONTRAST AGENTS FOR BOTH NUCLEAR SPIN AND COMPUTOR TOMOGRAPHY AND MAGNETIC RESONANCE IMAGING; MARKING VASCULAR SPACE (BLOOD-POOL AGENTS); BIOCOMPATIBILITY; HIGH SIGNAL INTENSITY, THEREFORE A LOWER DOSAGE USED SCHERING AKTIENGESELLSCHAFT (DE) 1999-02-23 US disclosed
US-5820849-A DIAGNOSIS WITH NUCLEAR MAGNETIC RESONANCE SCHERING AKTIENGESELLSCHAFT (DE) 1998-10-13 US disclosed
EP-0868202-A1 CASCADE POLYMER COMPLEXES, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1998-10-07 EP disclosed
EP-0836485-A2 CASCADE POLYMER COMPLEXES SCHERING AKTIENGESELLSCHAFT (DE) 1998-04-22 EP disclosed
EP-0832150-A1 CASCADE POLYMERS WITH IODINE-CONTAINING AROMATIC COMPOUNDS SCHERING AKTIENGESELLSCHAFT (DE) 1998-04-01 EP disclosed
WO-1997023245-A1 CASCADE POLYMER COMPLEXES, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1997-07-03 WO disclosed
EP-0768898-A1 CASCADE-POLYMER COMPLEXES AND METHODS OF PRODUCING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-23 EP disclosed
WO-1997002051-A2 CASCADE POLYMER COMPLEXES SCHERING AKTIENGESELLSCHAFT (DE) 1997-01-23 WO disclosed
WO-1996041830-A1 CASCADE POLYMERS WITH IODINE-CONTAINING AROMATIC COMPOUNDS SCHERING AKTIENGESELLSCHAFT (DE) 1996-12-27 WO disclosed
WO-1996001655-A1 CASCADE-POLYMER COMPLEXES AND METHODS OF PRODUCING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1996-01-25 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 (4 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-20110166334-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ALG8, MRPL21, AADAC ATM 3218/4885CTSK 614/4885CTSS 724/4885
US-20080293649-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ALG8, MRPL21, AADAC ATM 3218/4885CTSK 614/4885CTSS 724/4885
US-20130005674-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ALG8, MRPL21, AADAC ATM 3218/4885CTSK 614/4885CTSS 724/4885
US-20080045468-A1 ANTIMICROBIAL 2-DEOXYSTREPTAMINE COMPOUNDS MTAP, UNG, PNMT ATM 3254/4885CTSK 736/4885CTSS 309/4885

“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.