SCHEMBL742226

SCHEMBL742226

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.62
FFAR2 O15552 1/20 0.54
ATM Q13315 1/20 0.54
MMEL1 Q495T6 7/20 0.49
MME P08473 1/20 0.49
CTSS P25774 5/20 0.47
CTSK P43235 4/20 0.47
CTSB P07858 3/20 0.47
APP P05067 3/20 0.45
ACE P12821 1/20 0.45
KLK5 Q9Y337 1/20 0.44

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
SCHEMBL1519856 1.00 CTSL (0.62) CTSLFFAR2ATMMMEL1MME
SCHEMBL742227 1.00 CTSL (0.62) CTSLFFAR2ATMMMEL1MME
SCHEMBL14282774 0.91 CTSL (0.59) CTSLFFAR2ATMCTSSCTSK
SCHEMBL13905628 0.88 CTSL (0.61) CTSLATMCTSSCTSKCTSB
SCHEMBL1912590 0.88 MMEL1 (0.67) MMEL1MMEACE
SCHEMBL6008671 0.87 CTSL (0.60) CTSLFFAR2ATMCTSSCTSK
SCHEMBL31758020 0.87 ATM (0.55) CTSLATMCTSSCTSKCTSB
SCHEMBL1912658 0.86 MMEL1 (0.53) CTSLFFAR2ATMMMEL1MME
SCHEMBL489489 0.86 ATM (0.70) CTSLATMCTSSCTSKCTSB
SCHEMBL1519945 0.86 ATM (0.70) CTSLATMCTSSCTSKCTSB

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-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
US-20080015146-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-01-17 US disclosed
US-20080015146-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-01-17 US disclosed
US-20080015146-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-01-17 US disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 EP disclosed
EP-1786806-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-05-23 EP disclosed
WO-2005121131-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 WO disclosed
WO-2005121131-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 WO disclosed
EP-1604989-A1 DPP-IV inhibitors Santhera Pharmaceuticals (Deutschland) Aktiengesellschaft (DE) 2005-12-14 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 (3 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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 CTSL 128/4885FFAR2 1821/4885ATM 4787/4885
US-20080015146-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP3 CTSL 142/4885FFAR2 2566/4885ATM 4682/4885
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN FABP4, FABP1, FABP3 CTSL 3257/4885FFAR2 32/4885ATM 4086/4885

“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.