SCHEMBL6180881

SCHEMBL6180881

C=CC(CC(=O)O)Cc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.47
CA2 P00918 1/20 0.46
CAMK2A Q9UQM7 1/20 0.46
ESR1 P03372 6/20 0.41
ESR2 Q92731 6/20 0.41
TRPV1 Q8NER1 1/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.40
CPA1 P15085 2/20 0.40
CPB1 P15086 1/20 0.40
CPA3 P15088 1/20 0.40
CPB2 Q96IY4 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
SLC6A2 P23975 1/20 0.39
FFAR1 O14842 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL10600082 0.86 CPA3 (0.55) SLC7A5CPA1CPB1CPA3CPB2
SCHEMBL1915956 0.84 SLC7A5 (0.49) SLC7A5CA2CAMK2AESR1ESR2
SCHEMBL11220981 0.76 SLC7A5 (0.55) SLC7A5CA2CAMK2AESR1ESR2
SCHEMBL6179718 0.75 FFAR1 (0.40) FFAR1
SCHEMBL25229867 0.73 SLC7A5 (0.61) SLC7A5CA2CAMK2AESR1ESR2
SCHEMBL288276 0.73 SLC7A5 (0.61) SLC7A5CA2CAMK2AESR1ESR2
SCHEMBL6176371 0.73 TAAR1 (0.52) SLC7A5CA2CAMK2AESR1ESR2
SCHEMBL14032253 0.73 TAAR1 (0.52) SLC7A5CA2CAMK2AESR1ESR2
SCHEMBL3205288 0.73 CPA1 (0.72) SLC7A5CA2CAMK2ACPA1CPB1
SCHEMBL4280331 0.72 SLC22A6 (0.43) SLC6A2MEN1ALDH1A1CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 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 (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-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR SLC7A5 2764/4885CA2 3100/4885CAMK2A 1616/4885

“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.