SCHEMBL992273

SCHEMBL992273

O=C(N[C@H](CO)C(=O)NCc1ccc(OC(F)(F)F)cc1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.50
CTSL P07711 6/20 0.50
KLKB1 P03952 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
CTSK P43235 6/20 0.48
CTSB P07858 4/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
PSMB1 P20618 1/20 0.46
P2RX7 Q99572 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
SCHEMBL12188303 0.90 CA12 (0.57) CTSSCTSLKLKB1GAAMAPT
SCHEMBL2120048 0.88 CTSS (0.60) CTSSCTSLGAAMAPTHTT
SCHEMBL1697358 0.88 CTSS (0.60) CTSSCTSLGAAMAPTHTT
SCHEMBL993635 0.83 CTSS (0.56) CTSSCTSLGAAMAPTHTT
SCHEMBL12839908 0.81 EPHX2 (0.50) CTSSCTSLKLKB1CTSKCTSB
SCHEMBL27724834 0.81 FPR2 (0.66) CTSSCTSLCTSKCTSBP2RX7
SCHEMBL4364617 0.81 FPR2 (0.66) CTSSCTSLCTSKCTSBP2RX7
SCHEMBL15833882 0.81 CTSS (0.56) CTSSCTSLCTSKCTSB
SCHEMBL12839907 0.79 PRSS1 (0.60) MAPT
SCHEMBL9068032 0.78 CTSS (0.57) CTSSCTSLCTSKCTSBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933065-B2 N-benzylamide substituted derivatives of 2-(acylamido)acetic acid and 2-(acylamido)propionic acids: potent neurological agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-01-13 US disclosed
US-8933065-B2 N-benzylamide substituted derivatives of 2-(acylamido)acetic acid and 2-(acylamido)propionic acids: potent neurological agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-01-13 US disclosed
US-20140342989-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-11-20 US disclosed
US-20140342989-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-11-20 US disclosed
EP-2262764-B1 NOVEL N-BENZYLAMIDE SUBSTITUTED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACYLAMIDO)PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS UNIV NORTH CAROLINA (US) 2014-11-12 EP disclosed
EP-2262764-B1 NOVEL N-BENZYLAMIDE SUBSTITUTED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACYLAMIDO)PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS UNIV NORTH CAROLINA (US) 2014-11-12 EP disclosed
US-8829033-B2 N-benzylamide substituted derivatives of 2-(acylamido)acetic acid and 2-(acylamido)propionic acids: potent neurological agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-09-09 US disclosed
US-8829033-B2 N-benzylamide substituted derivatives of 2-(acylamido)acetic acid and 2-(acylamido)propionic acids: potent neurological agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-09-09 US disclosed
EP-2509939-A2 NOVEL N-BENZYLAMIDE SUBSTITUED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACY-LAMIDO) PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS The University of North Carolina At Chapel Hill (US) 2012-10-17 EP disclosed
US-20120232015-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-09-13 US disclosed
US-20120232015-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-09-13 US disclosed
WO-2011037833-A2 NOVEL N-BENZYLAMIDE SUBSTITUTED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACYLAMIDO)PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-03-31 WO disclosed
US-20110021482-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL, THE 2011-01-27 US disclosed
US-20110021482-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL, THE 2011-01-27 US disclosed
WO-2009145816-A2 NOVEL N-BENZYLAMIDE SUBSTITUTED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACYLAMIDO)PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-12-03 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 (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-20110021482-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NAAA, AADAC, GBA1 CTSS 2061/4885CTSL 2483/4885KLKB1 4214/4885
US-20140342989-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NAAA, AADAC, APEH CTSS 2257/4885CTSL 2646/4885KLKB1 4096/4885
US-20120232015-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NAAA, AADAC, APEH CTSS 2278/4885CTSL 2671/4885KLKB1 4059/4885

“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.