SCHEMBL4187558

SCHEMBL4187558

CCC1(S(=O)(=O)NC(=O)OC(C)(C)C)CC1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA7 P43166 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CTSL P07711 1/20 0.41
SYK P43405 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KLK7 P49862 5/20 0.39
KLK5 Q9Y337 4/20 0.39
STS P08842 1/20 0.39
PPARA Q07869 1/20 0.38
IDO1 P14902 1/20 0.37
AKT1 P31749 2/20 0.37
CTSS P25774 1/20 0.36

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
SCHEMBL313082 0.75 CA12 (0.54) CA12CA1CA7CA14CTSL
SCHEMBL8011499 0.73 CA12 (0.52) CA12CA1CA7CA14CTSL
SCHEMBL13053328 0.70 KMT2A (0.42) CA12CA1CA7CA14CTSL
SCHEMBL19599995 0.70 KMT2A (0.47) CA12CA1CA7CA14CTSL
SCHEMBL1219509 0.70 KMT2A (0.43) CA12CA1CA7CA14CTSL
SCHEMBL1976602 0.70 PPARA (0.42) CA12CA1CA7CA14CTSL
SCHEMBL13053335 0.70 PPARA (0.42) CA12CA1CA7CA14CTSL
SCHEMBL31407962 0.70 CA12 (0.48) CA12CA1CA7CA14SYK
SCHEMBL1219154 0.70 KMT2A (0.42) CA12CA1CA7CA14CTSL
SCHEMBL14416216 0.69 KMT2A (0.43) CA12CA1CA7CA14CTSL

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-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I IDENIX PHARMACEUTICALS, INC. (US) 2009-02-19 US disclosed
WO-2009014730-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-01-29 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-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I SERPINB1, SPINT2, PRSS1 CA12 3636/4885CA1 3683/4885CA7 4283/4885

“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.