SCHEMBL6044396

SCHEMBL6044396

CC(C)[C@@H](CC(N)=O)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.58
ATM Q13315 1/20 0.53
ELANE P08246 2/20 0.53
TRPM8 Q7Z2W7 1/20 0.52
CTSK P43235 4/20 0.51
CTRB1 P17538 2/20 0.50
PRTN3 P24158 2/20 0.50
CTSL P07711 3/20 0.49
CTSS P25774 3/20 0.49
CTSB P07858 2/20 0.49

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
SCHEMBL6044625 1.00 PSMB1 (0.58) PSMB1ATMELANETRPM8CTSK
SCHEMBL6044628 1.00 PSMB1 (0.58) PSMB1ATMELANETRPM8CTSK
SCHEMBL8284437 0.89 ELANE (0.51) PSMB1ATMELANETRPM8CTSK
SCHEMBL3202235 0.89 ATM (0.56) ATMELANETRPM8CTSKCTRB1
SCHEMBL9749127 0.89 ATM (0.56) ATMELANETRPM8CTSKCTRB1
SCHEMBL19859590 0.89 ATM (0.56) ATMELANETRPM8CTSKCTRB1
SCHEMBL15395673 0.87 ATM (0.54) ATMELANETRPM8CTSKCTRB1
SCHEMBL21085581 0.86 ELANE (0.51) ATMELANETRPM8CTSKCTRB1
SCHEMBL9937089 0.86 TRPM8 (0.55) ATMELANETRPM8CTSKCTRB1
SCHEMBL9937088 0.86 TRPM8 (0.55) ATMELANETRPM8CTSKCTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190169181-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2019-06-06 US disclosed
US-7423058-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-09-09 US disclosed
US-7423058-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-09-09 US disclosed
US-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease MERCK SHARP & DOHME CORP. 2007-06-21 US disclosed
US-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease MERCK SHARP & DOHME CORP. 2007-06-21 US disclosed
US-7205330-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2007-04-17 US disclosed
US-7205330-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2007-04-17 US disclosed
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 US disclosed
WO-2005085275-A1 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE SCHERING CORPORATION (US) 2005-09-15 WO disclosed
EP-0678503-B1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities NOVARTIS AG (CH) 1999-09-01 EP disclosed
US-5705658-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-01-06 US disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5627182-A RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS CIBA GEIGY CORPORATION (US) 1997-05-06 US disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 US disclosed
EP-0678503-A1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities CIBA-GEIGY AG (CH) 1995-10-25 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-20190169181-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, DNPEP, FOLH1 PSMB1 2888/4885ATM 1810/4885ELANE 96/4885
US-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease HAVCR2, RNASE1, SERPINB1 PSMB1 677/4885ATM 4408/4885ELANE 140/4885
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides BACE1, APP, PSEN1 PSMB1 1049/4885ATM 2372/4885ELANE 1129/4885

“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.