SCHEMBL2820392

SCHEMBL2820392

CC1(C)C(=O)c2ccccc2C1(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
S100A4 P26447 1/20 0.39
CYP2D6 P10635 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CASP1 P29466 2/20 0.37
RECQL P46063 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
CA7 P43166 1/20 0.37
BACE1 P56817 1/20 0.37
CA9 Q16790 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PGR P06401 3/20 0.36
MEN1 O00255 2/20 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
SCHEMBL22655432 0.80 PDK2 (0.41) S100A4SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL3369898 0.80 ALDH1A1 (0.48) ALDH1A1HSP90AA1HSP90AB1S100A4CYP2D6
SCHEMBL29173988 0.77 ALDH1A1 (0.45) ALDH1A1HSP90AA1HSP90AB1S100A4CYP2D6
SCHEMBL19302778 0.76 ALDH1A1 (0.50) ALDH1A1HSP90AA1HSP90AB1S100A4CYP2D6
SCHEMBL11586464 0.73 MEN1 (0.52) ALDH1A1HSP90AA1HSP90AB1S100A4SMN1; SMN2
SCHEMBL132952 0.72 ALDH1A1 (0.41) ALDH1A1HSP90AA1HSP90AB1S100A4CYP2D6
SCHEMBL22343683 0.72 ALDH1A1 (0.50) ALDH1A1HSP90AA1HSP90AB1S100A4CYP2D6
SCHEMBL30349347 0.72 ALDH1A1 (0.41) ALDH1A1HSP90AA1HSP90AB1S100A4CYP2D6
SCHEMBL6316881 0.71 PDK2 (0.50) S100A4SMN1; SMN2MEN1KMT2APDK2
SCHEMBL29608923 0.71 PDK2 (0.50) S100A4SMN1; SMN2MEN1KMT2APDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
EP-2094680-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 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-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 ALDH1A1 289/4885HSP90AA1 1893/4885HSP90AB1 857/4885

“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.