SCHEMBL6976977

SCHEMBL6976977

CC(C)(C)OC(=O)CC(Oc1ccc(CC(=O)O)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
SLC6A9 P48067 5/20 0.41
SRD5A2 P31213 1/20 0.41
ALOX15 P16050 1/20 0.40
AKR1B1 P15121 1/20 0.39
CNR2 P34972 1/20 0.39
ABCB1 P08183 1/20 0.39
PTPN1 P18031 1/20 0.39
ABCC4 O15439 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
PTGS1 P23219 1/20 0.39
HTT P42858 1/20 0.39
KLK7 P49862 1/20 0.38
SLC6A4 P31645 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL6741795 0.82 NPY5R (0.45) FFAR1SLC6A9CNR2ABCB1KLK7
SCHEMBL15809469 0.79 SLC6A9 (0.52) SLC6A9SLC6A4
SCHEMBL15809472 0.79 SLC6A9 (0.52) SLC6A9SLC6A4
SCHEMBL8332028 0.77 AKR1B1 (0.52) FFAR1SRD5A2AKR1B1
SCHEMBL7828941 0.77 L3MBTL1 (0.41) TSHR
SCHEMBL6239019 0.76 SLC6A9 (0.47) FFAR1SLC6A9SRD5A2ALOX15AKR1B1
SCHEMBL32660768 0.75 SLC6A2 (0.58) FFAR1SLC6A9SRD5A2ALOX15AKR1B1
SCHEMBL21554546 0.74 CA2 (0.50) FFAR1AKR1B1ABCC4LMNAGAA
SCHEMBL32660760 0.74 SLC6A4 (0.69) ALOX15LMNATSHRHTTSLC6A4
SCHEMBL32660765 0.74 SLC6A4 (0.69) ALOX15LMNATSHRHTTSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689771-B2 TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS, CORNEAL ULCERATION, SOLID TUMOR GROWTH BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed
US-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase DUAN JINGWU (US) 2003-02-13 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-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase TNF, MMP1, ADAMTS1 FFAR1 2386/4885SLC6A9 2628/4885SRD5A2 1148/4885

“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.