SCHEMBL1815871

SCHEMBL1815871

CSc1cccc(C[C@@H](CN)C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
FOLH1 Q04609 6/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42
CPA1 P15085 1/20 0.41
CPA3 P15088 1/20 0.41

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
SCHEMBL1818456 1.00 CYP1A2 (0.46) CYP1A2SLC1A3SLC1A2SLC1A1FOLH1
SCHEMBL23792325 0.85 FOLH1 (0.45) FOLH1MAPTMEN1TP53POLB
SCHEMBL2777443 0.82 SLC7A5 (0.59) SLC1A3SLC1A2SLC1A1HSD17B10
SCHEMBL2777441 0.82 SLC7A5 (0.59) SLC1A3SLC1A2SLC1A1HSD17B10
Hydrochloric Acid SCHEMBL6775489 0.81 SLC7A5 (0.57) SLC1A3SLC1A2SLC1A1HSD17B10
Hydrochloric Acid SCHEMBL6775486 0.81 SLC7A5 (0.57) SLC1A3SLC1A2SLC1A1HSD17B10
SCHEMBL1817585 0.80 CYP1A2 (0.50) CYP1A2SLC1A3SLC1A2SLC1A1FOLH1
SCHEMBL6532923 0.80 CYP1A2 (0.50) CYP1A2SLC1A3SLC1A2SLC1A1FOLH1
SCHEMBL10129710 0.80 ALDH1A1 (0.48) MAPTMEN1TP53POLBMAPK1
SCHEMBL22714101 0.78 GRIA2 (0.55) CYP1A2SLC1A3SLC1A2SLC1A1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-05-26 US claimed
EP-1883620-A1 ß-AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-02-06 EP claimed
WO-2006120544-A1 β-AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-16 WO claimed
US-20110130454-A1 PRODRUGS OF GAMMA-AMINO ACID, ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-06-02 US disclosed
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-05-26 US disclosed
EP-1883620-A1 ß-AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-02-06 EP disclosed
WO-2006120544-A1 β-AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-16 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 (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-20110130454-A1 PRODRUGS OF GAMMA-AMINO ACID, ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, OPRD1 CYP1A2 395/4885SLC1A3 491/4885SLC1A2 124/4885
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, CHRNG CYP1A2 174/4885SLC1A3 3365/4885SLC1A2 1873/4885

“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.