SCHEMBL6597146

SCHEMBL6597146

C=C(CC(=O)OCC(C)(C)C)C(=O)OCC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
KMT2A Q03164 1/20 0.32
MIF P14174 1/20 0.31

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
SCHEMBL9241575 0.90 ALDH1A1 (0.37) MGAMGAASIMGAM2KMT2A
SCHEMBL22616086 0.88 PAM (0.32)
SCHEMBL22615636 0.85 TSHR (0.31)
SCHEMBL6597149 0.84 ALOX15 (0.36) KMT2A
SCHEMBL9238728 0.84 TET2 (0.39) MGAMGAASIMGAM2KMT2A
SCHEMBL28662208 0.80 THRB (0.40)
SCHEMBL722025 0.80 GAA (0.50) MGAMGAASIMGAM2KMT2A
SCHEMBL941246 0.80 HTT (0.42)
SCHEMBL1082767 0.79 MGAM (0.35) MGAMGAASIMGAM2
SCHEMBL11109612 0.78 ALDH1A1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0424099-B1 Method of Preparing Polymeric Compositions for Oxygen Permeable Contact Lenses POLYMER TECHNOLOGY CORP (US) 1995-10-04 EP claimed
US-5177168-A Copolymer of an unsaturated carboxylic acid ester POLYMER TECHNOLOGY CORP. (US) 1993-01-05 US claimed
US-5032658-A Hardness, unsaturated ester POLYMER TECHNOLOGY CORPORATION (US) 1991-07-16 US claimed
EP-0424099-A2 Method of Preparing Polymeric Compositions for Oxygen Permeable Contact Lenses POLYMER TECHNOLOGY CORPORATION (US) 1991-04-24 EP claimed
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
WO-2003081212-A2 ADJUSTABLE AIR SAMPLER WITH PSYCHROMETRICS FOR VIABLE AND NON-VIABLE AEROSOLS PATHOGENUS, INC. (CA) 2003-10-02 WO 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
EP-0424099-B1 Method of Preparing Polymeric Compositions for Oxygen Permeable Contact Lenses POLYMER TECHNOLOGY CORP (US) 1995-10-04 EP disclosed
US-5346978-A Polymeric compositions useful in oxygen permeable contact lenses POLYMER TECHNOLOGY CORPORATION (US) 1994-09-13 US disclosed
US-5177168-A Copolymer of an unsaturated carboxylic acid ester POLYMER TECHNOLOGY CORP. (US) 1993-01-05 US disclosed
US-5032658-A Hardness, unsaturated ester POLYMER TECHNOLOGY CORPORATION (US) 1991-07-16 US disclosed
EP-0424099-A2 Method of Preparing Polymeric Compositions for Oxygen Permeable Contact Lenses POLYMER TECHNOLOGY CORPORATION (US) 1991-04-24 EP disclosed
US-4602074-A SILICON CONTAINING ACRYLIC MONOMER NIPPON CONTACT LENS MANUFACTURING LTD. (JP) 1986-07-22 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 (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 MGAM 622/4885GAA 272/4885SI 186/4885
US-20020013341-A1 Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha TNF, XPNPEP1, MMP2 MGAM 681/4885GAA 280/4885SI 195/4885

“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.