SCHEMBL1827199

SCHEMBL1827199

CC(C)(C(=O)O)C(C(=O)O)C(=O)CN

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32
GLRA1 P23415 1/20 0.32
SLC6A9 P48067 1/20 0.32
OR51E2 Q9H255 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TSHR P16473 2/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL29811180 0.69 ACLY (0.52) ALDH1A1GLRA1SLC6A9OR51E2KDM4E
SCHEMBL3794658 0.67 KDM4E (0.41) GABRR1ALDH1A1MAPTPTGS1KDM4E
SCHEMBL19988095 0.67 KDM4E (0.41) GABRR1ALDH1A1MAPTPTGS1GLRA1
SCHEMBL17092532 0.67 DPP4 (0.36)
Hydrochloric Acid SCHEMBL2677291 0.65 KDM4E (0.44) GABRR1ALDH1A1MAPTPTGS1KDM4E
Iodide SCHEMBL10424820 0.65 KDM4E (0.39) GABRR1ALDH1A1MAPTPTGS1KDM4E
SCHEMBL28243171 0.65 LMNA (0.32) ALDH1A1TSHR
SCHEMBL7416828 0.65 GABRR1 (0.46) GABRR1ALDH1A1MAPTPTGS1KDM4E
SCHEMBL28609539 0.64
SCHEMBL498110 0.64 ALDH1A1 (0.56) ALDH1A1MAPTPTGS1TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160324972-A1 TREATMENT OF MENINGEAL AND NEURAL DISEASES MASSACHUSETTS GEN HOSPITAL (US) 2016-11-10 US disclosed
US-8546419-B2 Dual phase drug release system THE GENERAL HOSPITAL CORPORATION (US) 2013-10-01 US disclosed
US-20120289535-A1 DUAL PHASE DRUG RELEASE SYSTEM THE GENERAL HOSPITAL CORPORATION (US) 2012-11-15 US disclosed
US-20120171118-A1 TREATMENT OF MENINGEAL AND NEURAL DISEASES THE GENERAL HOSPITAL CORPORATION (US) 2012-07-05 US disclosed
EP-1667726-B1 POLYACETAL DRUG CONJUGATES AS RELEASE SYSTEM GEN HOSPITAL CORP (US) 2011-05-04 EP disclosed
WO-2010144881-A1 TREATMENT OF MENINGEAL AND NEURAL DISEASES THE GENERAL HOSPITAL CORPORATION (US) 2010-12-16 WO disclosed
US-7790150-B2 Dual phase drug release system THE GENERAL HOSPITAL CORPORATION (US) 2010-09-07 US disclosed
US-20070190018-A1 Dual phase drug release system NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-08-16 US 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-20160324972-A1 TREATMENT OF MENINGEAL AND NEURAL DISEASES AQP4, PMP22, MAG GABRR1 1378/4885ALDH1A1 2125/4885MAPT 272/4885
US-20120289535-A1 DUAL PHASE DRUG RELEASE SYSTEM SUCNR1, SUCLA2, SUMO2 GABRR1 1573/4885ALDH1A1 835/4885MAPT 1957/4885
US-20070190018-A1 Dual phase drug release system SUCNR1, SUCLA2, SUCLG2 GABRR1 1909/4885ALDH1A1 490/4885MAPT 1545/4885
US-20120171118-A1 TREATMENT OF MENINGEAL AND NEURAL DISEASES AQP4, PMP22, MAG GABRR1 1378/4885ALDH1A1 2125/4885MAPT 272/4885

“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.