SCHEMBL6597231

SCHEMBL6597231

O=C(CC1(NC(=O)c2ccc(OCc3ccccc3)cn2)CCNCC1)NOC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.43
MMP3 P08254 2/20 0.42
ADAM17 P78536 2/20 0.42
ADAMTS4 O75173 1/20 0.42
MMP7 P09237 1/20 0.42
MMP8 P22894 1/20 0.42
ADAMTS1 Q9UHI8 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
CNR2 P34972 4/20 0.37
BACE1 P56817 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LTA4H P09960 2/20 0.36
MMP10 P09238 1/20 0.36
PRKAA2 P54646 1/20 0.35
FAAH O00519 1/20 0.34

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 SCHEMBL6597224 0.88 ADAM17 (0.51) P4HTMMMP3ADAM17ADAMTS4MMP7
SCHEMBL6598956 0.87 ADAM17 (0.46) MMP3ADAM17ADAMTS4MMP7MMP8
SCHEMBL6596613 0.86 ADAM17 (0.55) P4HTMMMP3ADAM17ADAMTS4MMP7
Trifluoroacetic Acid SCHEMBL6598948 0.77 ADAM17 (0.56) MMP3ADAM17ADAMTS4MMP7MMP8
Trifluoroacetic Acid SCHEMBL6598066 0.75 ADAM17 (0.62) MMP3ADAM17ADAMTS4MMP7MMP8
Trifluoroacetic Acid SCHEMBL6597604 0.74 ADAM17 (0.74) MMP3ADAM17ADAMTS4MMP7MMP8
SCHEMBL6595455 0.72 ADAM17 (0.59) MMP3ADAM17ADAMTS4MMP7MMP8
SCHEMBL6596829 0.72 ADAM17 (0.68) MMP3ADAM17ADAMTS4MMP7MMP8
SCHEMBL6594798 0.71 ADAM17 (0.81) MMP3ADAM17ADAMTS4MMP7MMP8
Trifluoroacetic Acid SCHEMBL6620555 0.71 ADAM17 (0.51) MMP3ADAM17ADAMTS4MMP7MMP8

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 P4HTM 1580/4885MMP3 12/4885ADAM17 29/4885
US-20020013341-A1 Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha TNF, XPNPEP1, MMP2 P4HTM 1703/4885MMP3 7/4885ADAM17 27/4885

“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.