SCHEMBL560278

SCHEMBL560278

NC[C@H](CC(=O)O)c1ccc(Cl)c(NCc2cccc(Oc3ccccc3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.55
GNA15 P30679 1/20 0.46
PTGER3 P43115 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45
HDAC8 Q9BY41 1/20 0.43
GABBR2 O75899 4/20 0.43
GABBR1 Q9UBS5 4/20 0.43
LMNA P02545 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
NFKB1 P19838 1/20 0.43
DRD3 P35462 1/20 0.43
BLM P54132 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 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
Hydrochloric Acid SCHEMBL559287 0.99 FFAR1 (0.54) FFAR1GNA15PTGER3FFAR4TDP1
SCHEMBL559586 0.94 FFAR1 (0.48) FFAR1GNA15PTGER3FFAR4TDP1
Hydrochloric Acid SCHEMBL560079 0.93 FFAR1 (0.48) FFAR1GNA15PTGER3FFAR4TDP1
Hydrochloric Acid SCHEMBL560179 0.84 GABBR2 (0.44) FFAR1HDAC8GABBR2GABBR1LMNA
Hydrochloric Acid SCHEMBL560579 0.84 MRGPRX4 (0.53) HDAC8GABBR2GABBR1LMNACYP2C9
SCHEMBL560772 0.80 GABBR2 (0.49) HDAC8GABBR2GABBR1LMNACYP2C9
SCHEMBL559596 0.80 CDK5 (0.47) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL560568 0.79 KMT2A (0.58) HDAC8GABBR2GABBR1LMNACYP2C9
SCHEMBL560262 0.79 MEN1 (0.52) FFAR1HDAC8GABBR2GABBR1LMNA
Hydrochloric Acid SCHEMBL559734 0.78 MEN1 (0.51) FFAR1HDAC8GABBR2GABBR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344028-B2 Gamma-amino-butyric acid derivatives as GABAB receptor ligands XENOPORT, INC. (US) 2013-01-01 US claimed
EP-2419401-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAb RECEPTOR LIGANDS XenoPort, Inc. (US) 2012-02-22 EP claimed
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2012-02-09 US claimed
US-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2010-10-21 US claimed
WO-2010120370-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. (US) 2010-10-21 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 FFAR1 190/4885GNA15 760/4885PTGER3 997/4885
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 FFAR1 190/4885GNA15 760/4885PTGER3 997/4885

“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.