SCHEMBL3860341

SCHEMBL3860341

CC(C)(CCCCC(C(=O)O)C(C)(C)C)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.61
ACACA Q13085 1/20 0.61
ACLY P53396 1/20 0.48
HSPD1 P10809 1/20 0.40
BLM P54132 1/20 0.40
HSPE1 P61604 1/20 0.40
TBXAS1 P24557 2/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PPARA Q07869 9/20 0.36
TDP1 Q9NUW8 2/20 0.33
TTR P02766 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C8 P10632 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL28950691 0.98 ACACB (0.65) ACACBACACAACLYHSPD1BLM
SCHEMBL29170384 0.82 ACACB (0.44) ACACBACACAACLYHSPD1BLM
SCHEMBL28806780 0.82 ACACB (0.44) ACACBACACAACLYHSPD1BLM
SCHEMBL28673024 0.80 HSPD1 (0.41) ACACBACACAACLYHSPD1BLM
SCHEMBL28597929 0.80 HSPD1 (0.41) ACACBACACAACLYHSPD1BLM
SCHEMBL6467827 0.80 ACACB (0.66) ACACBACACAACLYTBXAS1PPARA
SCHEMBL30549440 0.79 HSPD1 (0.37) ACACBACACAHSPD1BLMHSPE1
SCHEMBL28605372 0.79 HSPD1 (0.43) ACACBACACAACLYHSPD1BLM
SCHEMBL7222208 0.78 ACLY (0.70) ACACBACACAACLYTBXAS1PPARA
SCHEMBL3259070 0.78 ACACB (0.69) ACACBACACAACLYBLMTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595327-B2 Exo-N-Hydroxy-3-[methyl({4-[(2-methylquinolin-4-yl) methoxy]phenyl}sulfonyl)amino]bicyclo[2.2.1]heptane-2-carboxamide; rheumatoid arthritis (RA), juvenile RA, psoriatic arthritis, ankylosing spondylitis, psoriasis, osteoarthritis, tumor metastasis, sepsis, AIDS, ulcerative colitis, multiple sclerosis WYETH (US) 2009-09-29 US disclosed
US-20060211730-A1 Beta-sulfonamide hydroxamic acid inhibitors of tace/matrix metalloproteinase WYETH (US) 2006-09-21 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 (1 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-20060211730-A1 Beta-sulfonamide hydroxamic acid inhibitors of tace/matrix metalloproteinase SI, MMP12, TNF ACACB 128/4885ACACA 96/4885ACLY 471/4885

“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.