SCHEMBL6761897

SCHEMBL6761897

O=C(O)c1ccc(C(=O)N2Cc3ccc(C#CCc4ccc5ccccc5c4)cc3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.44
NR1H4 Q96RI1 1/20 0.42
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
MMP13 P45452 2/20 0.41
GRM5 P41594 2/20 0.40
NAMPT P43490 2/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
NPC1 O15118 1/20 0.40
PTGER4 P35408 1/20 0.39
PTGER2 P43116 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
PTGES O14684 2/20 0.38
ALOX5 P09917 2/20 0.38
PIN1 Q13526 1/20 0.38
SLC16A3 O15427 1/20 0.37

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
SCHEMBL6761892 0.78 GRM5 (0.47) NR1H4MMP13GRM5SLC22A8PTGER4
SCHEMBL6767433 0.72 MMP13 (0.46) HSP90AA1HSP90AB1MMP13GRM5SLC22A8
SCHEMBL6193680 0.72 MMP13 (0.49) NR1H4MMP13SLC22A8TSHRPTGES
SCHEMBL6765071 0.71 CA1 (0.53)
SCHEMBL1065004 0.71 NAMPT (0.63) HSP90AA1HSP90AB1GRM5NAMPTHPGD
SCHEMBL5697161 0.69 MMP13 (0.43) ACACBHSP90AA1HSP90AB1MMP13GRM5
SCHEMBL6248628 0.69 MMP13 (0.45) HSP90AA1HSP90AB1MMP13GRM5SLC22A8
SCHEMBL5697069 0.68 MMP13 (0.43) ACACBHSP90AA1HSP90AB1MMP13GRM5
SCHEMBL28772085 0.68 ASIC3 (0.54) PIN1
SCHEMBL3286990 0.68 NPC1 (0.52) NR1H4NPC1PTGER4PTGER2HPGD

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
US-20040038973-A1 Treating osteoarthritis or rheumatoid arthritis NAHRA JOE (US) 2004-02-26 US claimed
WO-2004014365-A1 PHTHALIMIDE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-20040038973-A1 Treating osteoarthritis or rheumatoid arthritis NAHRA JOE (US) 2004-02-26 US disclosed
WO-2004014365-A1 PHTHALIMIDE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040038973-A1 Treating osteoarthritis or rheumatoid arthritis MMP13, MMP11, MMP9 ACACB 4488/4885NR1H4 1801/4885HSP90AA1 2496/4885

“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.