SCHEMBL1717015

SCHEMBL1717015

CC(=O)OCc1cc(F)ccc1C(C)(C)C[C@]1(C(F)(F)F)CO1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
PTGS2 P35354 1/20 0.32
NOTUM Q6P988 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RIPK1 Q13546 2/20 0.31
NR3C2 P08235 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM5 P41594 1/20 0.31
NTRK1 P04629 2/20 0.31
MIF P14174 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
SCHEMBL1717018 1.00 CYP3A4 (0.34) CYP3A4MAPTPOLBL3MBTL1CYP1A2
SCHEMBL1717017 1.00 CYP3A4 (0.34) CYP3A4MAPTPOLBL3MBTL1CYP1A2
SCHEMBL1492604 0.81 SLC6A2 (0.32) NR3C2
SCHEMBL1492599 0.81 SLC6A2 (0.32) NR3C2
SCHEMBL1956065 0.80 KEAP1 (0.38) CYP3A4PTGS2NR3C2CYP2C9CYP2C19
SCHEMBL1956064 0.80 KEAP1 (0.38) CYP3A4PTGS2NR3C2CYP2C9CYP2C19
SCHEMBL1956066 0.80 KEAP1 (0.38) CYP3A4PTGS2NR3C2CYP2C9CYP2C19
SCHEMBL14470146 0.77 IDO1 (0.33) RIPK1NR3C2NTRK1
SCHEMBL1716520 0.76 HDAC3 (0.31)
SCHEMBL1716519 0.76 HDAC3 (0.31)

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-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
US-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-12-31 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 (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 CYP3A4 360/4885MAPT 168/4885POLB 3922/4885

“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.