SCHEMBL7109249

SCHEMBL7109249

COc1cccc(Oc2ccc(S(=O)(=O)C[C@@H]3CNCC[C@@H]3C(=O)NO)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 7/20 0.58
MMP3 P08254 3/20 0.49
MMP10 P09238 2/20 0.49
MTNR1B P49286 4/20 0.44
MTNR1A P48039 3/20 0.44
MMP13 P45452 6/20 0.43
MMP9 P14780 5/20 0.43
MMP1 P03956 3/20 0.43
MMP7 P09237 1/20 0.43
MMP2 P08253 2/20 0.41
MMP14 P50281 1/20 0.39
PGR P06401 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
Trifluoroacetic Acid SCHEMBL7110999 0.94 ADAM17 (0.55) ADAM17MMP3MMP10MTNR1BMTNR1A
SCHEMBL7110953 0.89 ADAM17 (0.56) ADAM17MMP3MMP13MMP9MMP1
SCHEMBL7111008 0.86 ADAM17 (0.45) ADAM17MMP3MMP10MTNR1BMTNR1A
SCHEMBL56831 0.75 MMP1 (0.51) ADAM17MMP3MMP13MMP9MMP1
SCHEMBL7204263 0.72 MMP13 (0.59) ADAM17MMP3MMP10MTNR1BMTNR1A
SCHEMBL16842648 0.65 MMP3 (1.00) MMP3MMP10
SCHEMBL14382665 0.65 EED (0.56) MTNR1BMTNR1A
SCHEMBL23329648 0.65 TDP1 (0.56) MMP3MMP13MMP9MMP1MMP7
Hydrochloric Acid SCHEMBL7415862 0.64 MMP1 (0.92) ADAM17MMP3MMP13MMP9MMP1
Hydrochloric Acid SCHEMBL6339341 0.64 MMP1 (0.92) ADAM17MMP3MMP13MMP9MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030087890-A1 1,2,-Disubstituted cyclic inhibitors of matrix metalloproteases and TNF-alpha BRISTOL-MYERS SQUIBB COMPANY, (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-05-08 US claimed
US-6642255-B2 Substituted carbocyclic or heterocyclic hydroxamic acid derivatives, e.g., (3R,4S)-N-hydroxy-1-methyl-3-(((4-((2-methyl-4 -quinolinyl)methoxylphenyl)sulfonyl)methyl)-4-piperidinecarboxamide BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-11-04 US disclosed
US-20030087890-A1 1,2,-Disubstituted cyclic inhibitors of matrix metalloproteases and TNF-alpha BRISTOL-MYERS SQUIBB COMPANY, (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-05-08 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-20030087890-A1 1,2,-Disubstituted cyclic inhibitors of matrix metalloproteases and TNF-alpha MMP1, MMP8, MMP9 ADAM17 19/4885MMP3 8/4885MMP10 7/4885

“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.