SCHEMBL6598305

SCHEMBL6598305

Cc1cc(COc2ccc(N(C(=O)C(F)(F)F)C3(CC(=O)NO)CC(C)OC3C)cc2)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 3/20 0.53
MMP3 P08254 3/20 0.53
ADAMTS1 Q9UHI8 3/20 0.53
ADAMTS5 Q9UNA0 3/20 0.53
MMP8 P22894 2/20 0.53
MMP10 P09238 1/20 0.53
MMP14 P50281 1/20 0.53
MMP15 P51511 1/20 0.53
ADAM17 P78536 19/20 0.51
MMP7 P09237 2/20 0.51
MMP2 P08253 3/20 0.49
MMP13 P45452 3/20 0.49
MMP9 P14780 1/20 0.49

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
SCHEMBL6598158 0.90 ADAMTS4 (0.54) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL6597115 0.88 ADAM17 (0.54) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL6598433 0.83 ADAM17 (0.53) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL6596757 0.83 ADAM17 (0.60) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL6594933 0.83 ADAM17 (0.61) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL6598118 0.82 ADAM17 (0.63) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL6598758 0.82 ADAM17 (0.52) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL6596366 0.82 ADAM17 (0.62) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL6598807 0.82 ADAM17 (0.62) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8
SCHEMBL6600912 0.81 ADAM17 (0.61) ADAMTS4MMP3ADAMTS1ADAMTS5MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040072802-A1 Beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha DUAN JINGWU (US) 2004-04-15 US disclosed
EP-1263756-B1 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-02-25 EP disclosed
US-6495565-B2 FOR THERAPY OF ACUTE INFECTION, ACUTE PHASE RESPONSE, AGE RELATED MACULAR DEGENERATION, ALCOHOLISM, ANOREXIA, ASTHMA, AUTOIMMUNE DISEASE, AUTOIMMUNE HEPATITIS, BECHET'S DISEASE, CACHEXIA, CALCIUM PYROPHOSPHATE DIHYDRTATE DEPOSITION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-17 US disclosed
EP-1263756-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP disclosed
US-20020013341-A1 Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-31 US disclosed
WO-2001070734-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 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 (2 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-20040072802-A1 Beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha TNF, XPNPEP1, MMP2 ADAMTS4 68/4885MMP3 12/4885ADAMTS1 62/4885
US-20020013341-A1 Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha TNF, XPNPEP1, MMP2 ADAMTS4 61/4885MMP3 7/4885ADAMTS1 56/4885

“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.