SCHEMBL451495

SCHEMBL451495

CC(C)(CC(O)(C(=O)Nc1cc(Cl)ccc1Cl)C(F)(F)F)c1cc(F)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 4/20 0.55
PDK2 Q15119 4/20 0.55
PDK3 Q15120 4/20 0.55
PDK4 Q16654 4/20 0.55
NR3C1 P04150 10/20 0.54
NR3C2 P08235 6/20 0.54
PGR P06401 6/20 0.54
AR P10275 2/20 0.53
CHRNA7 P36544 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
KCNMA1 Q12791 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL291691 0.89 NR3C1 (0.58) PDK1PDK2PDK3PDK4NR3C1
SCHEMBL290544 0.86 NR3C1 (0.62) NR3C1NR3C2PGRAR
SCHEMBL291862 0.85 NR3C1 (0.56) PDK1PDK2PDK3PDK4NR3C1
SCHEMBL1932477 0.85 LMNA (0.48) PDK1PDK2PDK3PDK4NR3C1
SCHEMBL291720 0.84 NR3C1 (0.64) NR3C1NR3C2PGRARMEN1
SCHEMBL292969 0.83 NR3C1 (0.65) NR3C1NR3C2PGRAR
SCHEMBL292361 0.82 NR3C1 (0.61) NR3C1NR3C2PGRAR
SCHEMBL291836 0.81 NR3C1 (0.64) NR3C1NR3C2PGRAR
SCHEMBL292680 0.80 NR3C1 (0.62) NR3C1NR3C2PGRAR
SCHEMBL291377 0.80 NR3C1 (0.62) NR3C1NR3C2PGRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065228-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING OCULAR INFLAMMATORY WITH LOWER RISK OF INCREASED INTRAOCULAR PRESSURE SOLTA MEDICAL, INC. 2012-03-15 US disclosed
US-20110281882-A1 Compositions and Methods for Treating, Controlling, Reducing, or Ameliorating Inflammatory Pain 1261229 B.C. LTD. (CA) 2011-11-17 US disclosed
EP-2051710-B1 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB (US) 2011-11-02 EP disclosed
EP-2364707-A2 Compositions and methods for treating, controlling, reducing, or ameliorating infections and sequelae thereof BAUSCH & LOMB INCORPORATED (US) 2011-09-14 EP disclosed
US-20110104159-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY BAUSCH+LOMB OPS B.V. (NL) 2011-05-05 US disclosed
US-20110105559-A1 Compositions and Methods for Treating, Controlling, Reducing, Ameliorating, or Preventing Allergy WP PRISM INC. (N/K/A BAUSCH & LOMB HOLDINGS INC.) 2011-05-05 US disclosed
EP-2061444-B1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY BAUSCH & LOMB (US) 2011-04-20 EP 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 (4 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-20110281882-A1 Compositions and Methods for Treating, Controlling, Reducing, or Ameliorating Inflammatory Pain PTGIR, MC2R, NR3C1 PDK1 3962/4885PDK2 3706/4885PDK3 3515/4885
US-20110104159-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY CYSLTR1, LTB4R, CYSLTR2 PDK1 4343/4885PDK2 3789/4885PDK3 4323/4885
US-20110105559-A1 Compositions and Methods for Treating, Controlling, Reducing, Ameliorating, or Preventing Allergy CYSLTR1, LTB4R, CYSLTR2 PDK1 4343/4885PDK2 3789/4885PDK3 4323/4885
US-20120065228-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING OCULAR INFLAMMATORY WITH LOWER RISK OF INCREASED INTRAOCULAR PRESSURE PTGIR, NR3C1, PTGDR PDK1 3982/4885PDK2 3869/4885PDK3 3616/4885

“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.