SCHEMBL8208639

SCHEMBL8208639

C=CCCCCCCCC1(S(=O)(=O)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.38
CA14 Q9ULX7 4/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
CA1 P00915 2/20 0.35
CA7 P43166 2/20 0.35
TDP1 Q9NUW8 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ABCC4 O15439 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2419235 1.00 CA12 (0.38) CA12CA14CA2ALDH1A1LMNA
SCHEMBL6872276 0.95 CA12 (0.37) CA12CA14CA2ALDH1A1LMNA
SCHEMBL13128206 0.89 CA12 (0.39) CA12CA14CA2CA1CA7
SCHEMBL13128203 0.84 TDP1 (0.48) CA12CA14CA2CA1CA7
SCHEMBL8195901 0.83 CYP3A4 (0.33)
SCHEMBL10099084 0.83 CA12 (0.46) CA12CA14CA2CA1CA7
SCHEMBL13128207 0.82 CA12 (0.37) CA12CA14CA2ALDH1A1LMNA
SCHEMBL25736271 0.81 TDP1 (0.43) CA12CA14CA2CA1CA7
SCHEMBL10099086 0.80
SCHEMBL7833165 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
WO-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 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 (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-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 CA12 886/4885CA14 778/4885CA2 1716/4885

“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.