SCHEMBL2548868

SCHEMBL2548868

COc1cc(O[Si](C)(C)C(C)(C)C)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.44
CA1 P00915 5/20 0.44
CA9 Q16790 5/20 0.44
PREP P48147 2/20 0.38
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PAX8 Q06710 1/20 0.37
AMY1A P0DUB6 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
KMT2A Q03164 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL2597426 0.88 CA12 (0.42) CA12CA1CA9PREPCA2
SCHEMBL8162618 0.88 CA12 (0.45) CA12CA1CA9PREPKDR
SCHEMBL12492971 0.83 CA12 (0.46) CA12CA1CA9PREP
SCHEMBL2023774 0.81 CA12 (0.45) CA12CA1CA9PREPCA2
SCHEMBL23190575 0.79 CA12 (0.46) CA12CA1CA9PREP
SCHEMBL4977539 0.79 CA12 (0.46) CA12CA1CA9PREP
SCHEMBL7148596 0.79 CA12 (0.39) CA12CA1CA9PREP
SCHEMBL8466480 0.78 MEN1 (0.40) CA12CA1CA9ALDH1A1KMT2A
SCHEMBL10185344 0.78 CA12 (0.45) CA12CA1CA9PREP
SCHEMBL31401810 0.78 CA12 (0.45) CA12CA1CA9PREPALDH1A1

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-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 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 (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-20110263560-A1 Organic Compounds REN, ACE, OTC CA12 2345/4885CA1 1761/4885CA9 611/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO CA12 2337/4885CA1 1646/4885CA9 501/4885

“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.