Sugi Predict

Sugi Predict / Compounds / SCHEMBL8000523

SCHEMBL8000523

SCHEMBL8000523

CC1(C)NC(=O)N(C[C@@H](CS(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N(O)C=O)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 19/20 1.00
▸ MMP1 P03956 15/20 1.00
▸ MMP9 P14780 13/20 1.00
▸ MMP3 P08254 2/20 0.57

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
SCHEMBL7504602 1.00 MMP2 (1.00) MMP2MMP1MMP9MMP3
SCHEMBL7922743 0.91 MMP2 (0.83) MMP2MMP1MMP9MMP3
SCHEMBL7362164 0.91 MMP2 (0.83) MMP2MMP1MMP9MMP3
SCHEMBL7998724 0.90 MMP2 (0.81) MMP2MMP1MMP9MMP3
SCHEMBL7500999 0.88 MMP9 (1.00) MMP2MMP1MMP9MMP3
SCHEMBL7445146 0.87 MMP2 (0.77) MMP2MMP1MMP9MMP3
SCHEMBL7990348 0.86 MMP2 (0.80) MMP2MMP1MMP9MMP3
SCHEMBL8000421 0.86 MMP2 (1.00) MMP2MMP1MMP9MMP3
SCHEMBL7501515 0.85 MMP2 (1.00) MMP2MMP1MMP9MMP3
SCHEMBL7672518 0.84 MMP2 (0.73) MMP2MMP1MMP9MMP3

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-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 — — US claimed
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 — — US disclosed