SCHEMBL7519804

SCHEMBL7519804

N[C@H](C(=O)O)C(C(=O)O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.70
DPP4 P27487 2/20 0.50
SRC P12931 1/20 0.50
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
SLC1A2 P43004 4/20 0.47
SLC1A3 P43003 3/20 0.47
SLC1A1 P43005 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44

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
SCHEMBL2308229 1.00 CYP2D6 (0.70) CYP2D6DPP4SRCLMNAMAPK1
Hydrochloric Acid SCHEMBL5693429 0.98 CYP2D6 (0.67) CYP2D6DPP4SRCLMNAMAPK1
SCHEMBL1427487 0.88 CYP2D6 (0.54) CYP2D6SLC1A2SLC1A3SLC1A1KMT2A
Hydrochloric Acid SCHEMBL1428219 0.86 CYP2D6 (0.52) CYP2D6SLC1A2SLC1A3SLC1A1KMT2A
SCHEMBL3576405 0.85 CYP2D6 (0.56) CYP2D6DPP4SRCLMNAMAPK1
SCHEMBL5606071 0.85 CYP2D6 (0.56) CYP2D6DPP4SRCLMNAMAPK1
SCHEMBL3630110 0.85 CYP2D6 (0.56) CYP2D6DPP4SRCLMNAMAPK1
SCHEMBL3582437 0.85 CYP2D6 (0.56) CYP2D6DPP4SRCLMNAMAPK1
SCHEMBL4255321 0.84 CYP2D6 (0.54) CYP2D6DPP4SRCLMNAMAPK1
SCHEMBL4255324 0.84 CYP2D6 (0.54) CYP2D6DPP4SRCLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1160368-C Endothelin antegon 中国人民解放军军事医学科学院毒物药 2004-08-04 CN disclosed
CN-1155612-C Endothelin antagon 中国人民解放军军事医学科学院毒物药 2004-06-30 CN disclosed
CN-1155611-C Endothelin antagon 中国人民解放军军事医学科学院毒物药 2004-06-30 CN disclosed
US-20020019496-A1 Ligands for metal affinity chromatography PEVOW GERALD (US) 2002-02-14 US disclosed
CN-1330076-A Endothelin antagon INST OF TOXIC MEDICINES PLA S (CN) 2002-01-09 CN disclosed
CN-1330077-A Endothelin antegon INST OF TOXIC MEDICINES PLA S (CN) 2002-01-09 CN 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-20020019496-A1 Ligands for metal affinity chromatography MLX, RBX1, BRIX1 CYP2D6 4484/4885DPP4 4338/4885SRC 1997/4885

“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.