SCHEMBL16680586

SCHEMBL16680586

CCCN[C@H](CC(=O)O)c1ccc(Cl)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.51
GABBR1 Q9UBS5 1/20 0.51
CFD P00746 1/20 0.41
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GSK3B P49841 1/20 0.35
RXFP1 Q9HBX9 3/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
DAO P14920 1/20 0.34
MAPK1 P28482 1/20 0.34
CXCR3 P49682 2/20 0.34
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL16680588 1.00 GABBR2 (0.51) GABBR2GABBR1CFDITGB3ITGA2B
SCHEMBL1139106 0.72 ALDH1A1 (0.59) GABBR2GABBR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1138691 0.72 ALDH1A1 (0.59) GABBR2GABBR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1139313 0.72 ALDH1A1 (0.59) GABBR2GABBR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL27697147 0.70 GABBR2 (0.66) GABBR2GABBR1GSK3BLMNADAO
SCHEMBL14261998 0.69 CTSA (0.50) GABBR2GABBR1ALDH1A1THRB
SCHEMBL15952208 0.68 GABBR2 (0.46) GABBR2GABBR1ITGB3ITGA2BCXCR1
4-Amino-3- (5-Chlorothien-2-Yl)Butanoic Acid SCHEMBL342009 0.68 GABBR2 (1.00) GABBR2GABBR1LMNADAOMEN1
SCHEMBL1052288 0.68 GABBR2 (0.71) GABBR2GABBR1GSK3BLMNADAO
SCHEMBL909126 0.67 GABBR2 (0.49) GABBR2GABBR1CXCR1CXCR2ALDH1A1

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-9452990-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2016-09-27 US disclosed
US-9452990-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2016-09-27 US disclosed
US-9452990-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2016-09-27 US disclosed
EP-2864322-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2016-04-27 EP disclosed
EP-2864322-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2016-04-27 EP disclosed
US-20150126492-A1 Complement Pathway Modulators and Uses Thereof NOVARTIS AG (CH) 2015-05-07 US disclosed
US-20150126492-A1 Complement Pathway Modulators and Uses Thereof NOVARTIS AG (CH) 2015-05-07 US disclosed
US-20150126492-A1 Complement Pathway Modulators and Uses Thereof NOVARTIS AG (CH) 2015-05-07 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 (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-20150126492-A1 Complement Pathway Modulators and Uses Thereof CFB, CFH, TFPI GABBR2 1860/4885GABBR1 2381/4885CFD 4/4885

“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.