SCHEMBL3969663

SCHEMBL3969663

CC#CCOc1ccc(C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 13/20 0.50
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
CYP2A6 P11509 1/20 0.48
MMP13 P45452 7/20 0.48
MMP9 P14780 6/20 0.48
MMP2 P08253 4/20 0.48
MMP8 P22894 3/20 0.48
MMP7 P09237 2/20 0.46
ALDH1A3 P47895 1/20 0.44
MMP1 P03956 5/20 0.43
MMP14 P50281 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL10690394 0.88 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL15274643 0.84 ADAM17 (0.58) ADAM17MMP13MMP9MMP2MMP8
SCHEMBL14068217 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL24215090 0.80 MAOA (0.54) ADAM17ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29954271 0.80 MAOA (0.54) ADAM17ALDH1A1SMN1; SMN2KDM4E
SCHEMBL26208705 0.79 ADAM17 (0.44) ADAM17MMP13MMP9MMP2MMP8
SCHEMBL8011907 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL17202384 0.77 KMT2A (0.58) ADAM17ALDH1A1SMN1; SMN2MAPTMMP13
SCHEMBL17202385 0.77 KMT2A (0.58) ADAM17ALDH1A1SMN1; SMN2MAPTMMP13
SCHEMBL2263155 0.77 RAB9A (0.47) ALDH1A1SMN1; SMN2LMNAMAPTHPGD

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3134401-B1 ISOXAZOLINE HYDROXAMIC ACID DERIVATIVES AS LPXC INHIBITORS NOVARTIS AG (CH) 2018-06-13 EP disclosed
EP-3134401-B1 ISOXAZOLINE HYDROXAMIC ACID DERIVATIVES AS LPXC INHIBITORS NOVARTIS AG (CH) 2018-06-13 EP disclosed
US-9873879-B2 Nucleic acid fragment binding to target protein TAGCYX BIOTECHNOLOGIES (JP) 2018-01-23 US disclosed
US-9718792-B2 Isoxazoline hydroxamic acid derivatives as LpxC inhibitors NOVARTIS AG (CH) 2017-08-01 US disclosed
US-9718792-B2 Isoxazoline hydroxamic acid derivatives as LpxC inhibitors NOVARTIS AG (CH) 2017-08-01 US disclosed
US-9718792-B2 Isoxazoline hydroxamic acid derivatives as LpxC inhibitors NOVARTIS AG (CH) 2017-08-01 US disclosed
US-20170174640-A1 ISOXAZOLINE HYDROXAMIC ACID DERIVATIVES AS LpxC INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-06-22 US disclosed
US-20170174640-A1 ISOXAZOLINE HYDROXAMIC ACID DERIVATIVES AS LpxC INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-06-22 US disclosed
US-20170174640-A1 ISOXAZOLINE HYDROXAMIC ACID DERIVATIVES AS LpxC INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-06-22 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US disclosed
US-6984648-B2 Cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-01-10 US disclosed
US-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-6743807-B2 TREATMENT OF RHEUMATOID AND OSTEOARTHRITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, TUMOR METASTASIS OR INVASION, PERIODONTAL DISEASE AND BONE DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-06-01 US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 US disclosed
EP-1373199-A4 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-04-07 EP disclosed
EP-1373199-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) Bristol-Myers Squibb Pharma Company (US) 2004-01-02 EP disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 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
WO-2002074738-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-26 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 ADAM17 27/4885ALDH1A1 839/4885SMN1; SMN2 3011/4885
US-20170174640-A1 ISOXAZOLINE HYDROXAMIC ACID DERIVATIVES AS LpxC INHIBITORS PRXL2A, AGXT, HAX1 ADAM17 357/4885ALDH1A1 2361/4885SMN1; SMN2 4854/4885

“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.