SCHEMBL1974104

SCHEMBL1974104

CC(C)CC(CC(=O)OCc1ccccc1)C[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 1/20 0.45
CTSL P07711 6/20 0.45
CTSB P07858 6/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CPA1 P15085 3/20 0.43
CTSK P43235 2/20 0.43

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
SCHEMBL15445430 0.84 SLC15A1 (0.49) SLC15A1ALDH1A1MAPK1L3MBTL1CPA1
SCHEMBL10013280 0.82 ALDH1A1 (0.50) SLC15A1CTSLCTSBALDH1A1MAPK1
SCHEMBL16726827 0.82 ALDH1A1 (0.50) SLC15A1CTSLCTSBALDH1A1MAPK1
SCHEMBL18199537 0.81 SLC15A1 (0.52) SLC15A1CTSLCTSBALDH1A1MAPK1
SCHEMBL13915926 0.80 SLC15A1 (0.48) SLC15A1CTSLCTSBALDH1A1MAPK1
Hydrochloric Acid SCHEMBL29110345 0.80 SLC15A1 (0.51) SLC15A1CTSLCTSBALDH1A1MAPK1
Hydrochloric Acid SCHEMBL1044439 0.80 SLC15A1 (0.51) SLC15A1CTSLCTSBALDH1A1MAPK1
SCHEMBL16729374 0.79 SLC15A1 (0.47) SLC15A1CTSLCTSBALDH1A1MAPK1
SCHEMBL15437884 0.78 ALDH1A1 (0.45) SLC15A1ALDH1A1MAPK1L3MBTL1CPA1
SCHEMBL1410099 0.78 CPA1 (0.45) ALDH1A1CPA1

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-20120220799-A1 NOVEL PROCESS GENERICS [UK] LIMITED (GB) 2012-08-30 US disclosed
US-20120220799-A1 NOVEL PROCESS GENERICS [UK] LIMITED (GB) 2012-08-30 US disclosed
US-20110144383-A1 PROCESS FOR PREPARING (S)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID MATRIX LABORATORIES LIMITED (IN) 2011-06-16 US disclosed
US-20090286880-A1 NOVEL PROCESS GENERICS [UK] LIMITED (GB) 2009-11-19 US disclosed
US-20090286880-A1 NOVEL PROCESS GENERICS [UK] LIMITED (GB) 2009-11-19 US disclosed
WO-2009125427-A2 PROCESS FOR PREPARING (S)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID MATRIX LABORATORIES LIMITED (IN) 2009-10-15 WO disclosed
EP-2054375-A2 PROCESS OF PREPARING A GAMMA-AMINO ACID Merck Generics (UK) Limited (GB) 2009-05-06 EP disclosed
WO-2008007145-A2 PROCESS OF PREPARING A GAMMA-AMINO ACID GENERICS [UK] LIMITED (GB) 2008-01-17 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-20120220799-A1 NOVEL PROCESS GABRB2, GABRB1, GABRE SLC15A1 3406/4885CTSL 2767/4885CTSB 2981/4885
US-20110144383-A1 PROCESS FOR PREPARING (S)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID ALKBH5, ALOX5, METTL3 SLC15A1 4364/4885CTSL 2800/4885CTSB 4002/4885
US-20090286880-A1 NOVEL PROCESS GABRB2, GABRB1, GABRE SLC15A1 3406/4885CTSL 2767/4885CTSB 2981/4885

“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.