SCHEMBL1492567

SCHEMBL1492567

Cc1cc(F)ccc1C(C)(C)CC(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
PLOD2 O00469 1/20 0.39
NR3C1 P04150 9/20 0.37
NR3C2 P08235 7/20 0.34
PGR P06401 2/20 0.34
MEP1B Q16820 1/20 0.34
CHIT1 Q13231 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 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
SCHEMBL379406 0.88 NR3C1 (0.48) PLOD2NR3C1NR3C2PGR
SCHEMBL14340600 0.83 RIPK1 (0.40) PLOD2NR3C1NR3C2PGRMAPT
SCHEMBL10254048 0.83 PLOD2 (0.38) HDAC6HDAC3HDAC1HDAC2PLOD2
SCHEMBL1492608 0.83 PLOD2 (0.38) HDAC6HDAC3HDAC1HDAC2PLOD2
SCHEMBL1492615 0.82 KEAP1 (0.42) PLOD2NR3C1NR3C2ALDH1A1HPGD
SCHEMBL10313445 0.81 NR3C1 (0.44) PLOD2NR3C1NR3C2PGR
SCHEMBL1492529 0.81 PLOD2 (0.36) PLOD2NR3C1NR3C2PGRMAPT
SCHEMBL1492560 0.81 DDR1 (0.40) PLOD2NR3C1NR3C2MEP1B
SCHEMBL1634480 0.81 NR3C2 (0.44) NR3C1NR3C2PGR
SCHEMBL1492523 0.80 PLOD2 (0.38) HDAC6HDAC3HDAC1HDAC2PLOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268859-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-18 US disclosed
EP-2300472-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2012-01-18 EP disclosed
EP-2300472-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2011-03-30 EP disclosed
US-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-12-31 US disclosed
WO-2009149139-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 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-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, NR3C2, MC2R HDAC6 1168/4885HDAC3 956/4885HDAC1 465/4885

“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.