SCHEMBL1845191

SCHEMBL1845191

CC(C)(C)OC(=O)NNc1ccc(C(=O)O)c(N2C(=O)CCC2=O)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2222134 0.76 GAA (0.38) GAAKMT2AMEN1NPC1RAB9A
SCHEMBL5667071 0.75 CA12 (0.38) GAAKMT2AMEN1NPC1RAB9A
Acetone SCHEMBL4249268 0.74 CA12 (0.36) GAAKMT2AMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL7268096 0.74 CA12 (0.37) GAAKMT2AMEN1RAB9AALDH1A1
Acetone SCHEMBL20164099 0.73 CA12 (0.35) GAAKMT2AMEN1NPC1RAB9A
SCHEMBL1845186 0.73 CA12 (0.31) CA12CA1CA9
SCHEMBL1509167 0.68 GAA (0.41) GAAKMT2AMEN1NPC1RAB9A
SCHEMBL29057093 0.68 ATR (0.36) GAAKMT2AMEN1NPC1RAB9A
SCHEMBL19024360 0.67 GAA (0.47) GAAKMT2AMEN1NPC1RAB9A
SCHEMBL8190552 0.66 NPC1 (0.60) GAAKMT2AMEN1NPC1RAB9A

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-9861713-B2 PSMA-binding agents and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2018-01-09 US disclosed
US-20160114060-A1 PSMA-BINDING AGENTS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2016-04-28 US disclosed
EP-0862464-B1 AMINO ACID ANALOGS FOR TUMOR IMAGING UNIV EMORY (US) 2012-08-22 EP disclosed
EP-2324857-A1 Imaging agents for early detection of cardiovascular plaque The General Hospital Corporation (US) 2011-05-25 EP disclosed
US-20090117032-A1 Imaging Agents for Early Detection and Monitoring of Cardiovascular Plaque THE GENERAL HOSPITAL CORPORATION (US) 2009-05-07 US disclosed
US-7438891-B2 Imaging agents for early detection and monitoring of cardiovascular plaque THE GENERAL HOSPITAL CORPORATION 2008-10-21 US disclosed
US-20060140859-A1 Imaging agents for early detection and monitoring of cardiovascular plaque MASSACHUSETTS GENERAL HOSPITAL (US) 2006-06-29 US disclosed
US-7060251-B1 Imaging agents for early detection and monitoring of cardiovascular plaque THE GENERAL HOSPITAL CORPORATION (US) 2006-06-13 US disclosed
EP-0862464-A4 AMINO ACID ANALOGS FOR TUMOR IMAGING UNIV EMORY (US) 2001-07-25 EP disclosed
EP-1011738-A1 IMAGING AGENTS FOR EARLY DETECTION OF CARDIOVASCULAR PLAQUE THE GENERAL HOSPITAL CORPORATION (US) 2000-06-28 EP disclosed
WO-1999012579-A1 IMAGING AGENTS FOR EARLY DETECTION AND MONITORING OF CARDIOVASCULAR PLAQUE THE GENERAL HOSPITAL CORPORATION (US) 1999-03-18 WO disclosed
US-5817776-A TECHNETIUM 99 COMPLEXES, SINGLE PHOTON EMISSION TOMOGRAPHY EMORY UNIVERSITY (US) 1998-10-06 US disclosed
EP-0862464-A1 AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 1998-09-09 EP disclosed
WO-1997017092-A1 AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 1997-05-15 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 (1 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-20160114060-A1 PSMA-BINDING AGENTS AND USES THEREOF KLK3, FOLH1, DNPEP GAA 197/4885KMT2A 220/4885MEN1 497/4885

“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.