SCHEMBL6500106

SCHEMBL6500106

CC(C)(C)OC(N)=O.OCCN1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SIGMAR1 Q99720 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 1/20 0.35
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
HTR4 Q13639 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
LMNA P02545 1/20 0.32
NR1H2 P55055 1/20 0.32
CXCR4 P61073 1/20 0.32

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
SCHEMBL9031258 0.84 SMN1; SMN2 (0.40) MEN1KMT2ASIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL28078678 0.83 USP2 (0.45) MEN1KMT2ASIGMAR1SMN1; SMN2MAPT
SCHEMBL25305931 0.79 SIGMAR1 (0.41) MEN1KMT2ASIGMAR1SMN1; SMN2ALDH1A1
Piperazine SCHEMBL17912476 0.77 DGAT1 (0.33) KMT2ASMN1; SMN2HSD17B10LMNANR1H2
SCHEMBL27885590 0.77 SIGMAR1 (0.41) MEN1KMT2ASIGMAR1SMN1; SMN2ALDH1A1
Tert-Butyl Formate SCHEMBL27718748 0.76 TDP1 (0.42) MEN1KMT2ASIGMAR1SMN1; SMN2ALDH1A1
Acetic Acid SCHEMBL19347190 0.76 KMT2A (0.42) MEN1KMT2ASIGMAR1SMN1; SMN2ALDH1A1
Acetic Acid SCHEMBL8411514 0.76 KMT2A (0.42) MEN1KMT2ASIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL6600492 0.76 MEN1 (0.41) MEN1KMT2ASIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL18729437 0.76 MEN1 (0.41) MEN1KMT2ASIGMAR1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH HOLDINGS CORPORATION 2005-05-26 US disclosed
CN-1550496-A Acetylenic alpha-amino acid-based sulfamide hydroxamic acid TACE inhibitors ���Ͽع����޹�˾ 2004-12-01 CN disclosed
US-6812227-B2 SULFUR COMPOUNDS SUCH AS 2-((4-BUT-2-YNYLOXY-BENZENESULFONYL)-METHYL-AMINO)-N-HYDROXY-3-METHYL -BUTYRAMIDE, USED AS TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME (TACE) INHIBITORS, FOR PROPHYLAXIS OF RHEUMATIC DISEASES, SEPSIS OR INFLAMMATION WYETH HOLDINGS CORPORATION 2004-11-02 US disclosed
EP-1144368-B1 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-07-14 EP disclosed
US-6716833-B2 RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, SEPSIS, AIDS, ULCERATIVE COLITIS, MULTIPLE SCLEROSIS, CROHN'S DISEASE AND DEGENERATIVE CARTILAGE LOSS. WYETH HOLDINGS CORPORATION 2004-04-06 US disclosed
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH (US) 2004-02-19 US disclosed
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH (US) 2003-11-13 US disclosed
US-20030008849-A1 Acetylenic alpha -amino acid-based sulfonamide hydroxamic acid tace inhibitors LEVIN JEREMY I (US) 2003-01-09 US disclosed
CN-1345308-A Acetylenic alpha-amino acid based sulfonamide hydroxamic acid TACE inhibitors AMERICAN CYANAMID CO (US) 2002-04-17 CN disclosed
EP-1144368-A2 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 EP disclosed
US-6225311-B1 Acetylenic α-amino acid-based sulfonamide hydroxamic acid tace inhibitors AMERICAN CYANAMID COMPANY 2001-05-01 US disclosed
WO-2000044709-A2 ACETYLENIC α-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 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 (4 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-20030008849-A1 Acetylenic alpha -amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 MEN1 2930/4885KMT2A 2103/4885SIGMAR1 2868/4885
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 MEN1 2930/4885KMT2A 2103/4885SIGMAR1 2868/4885
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 MEN1 2930/4885KMT2A 2103/4885SIGMAR1 2868/4885
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, MMP12 MEN1 3334/4885KMT2A 1673/4885SIGMAR1 3219/4885

“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.