SCHEMBL5228151

SCHEMBL5228151

Oc1ccc2oc(-c3ccccc3C(F)(F)F)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 16/20 0.60
ESR1 P03372 15/20 0.60
UTRN P46939 1/20 0.56
KDM6B O15054 1/20 0.52
KDM6A O15550 1/20 0.52
C1R P00736 1/20 0.52
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50

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
SCHEMBL12704756 0.89 ESR2 (0.63) ESR2ESR1UTRNKDM6BKDM6A
SCHEMBL27621439 0.84 UTRN (0.52) ESR2ESR1UTRNKDM6BKDM6A
SCHEMBL24292359 0.82 C1R (0.64) UTRNKDM6BKDM6AC1R
SCHEMBL439113 0.82 UTRN (0.54) UTRNC1R
SCHEMBL9115528 0.81 ESR1 (0.65) ESR2ESR1KDM6BKDM6APIK3CA
SCHEMBL12707323 0.80 UTRN (0.53) UTRNC1R
SCHEMBL12909701 0.80 UTRN (0.53) ESR2ESR1UTRNC1R
SCHEMBL1378665 0.76 ESR1 (1.00) ESR2ESR1KDM6BKDM6APIK3CA
SCHEMBL1375754 0.75 ESR1 (1.00) ESR2ESR1KDM6BKDM6APIK3CA
SCHEMBL6448557 0.75 ESR2 (0.60) ESR2ESR1KDM6BKDM6APIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338459-B2 Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding FOLDRX PHARMACEUTICALS, INC. (US) 2012-12-25 US disclosed
US-8338459-B2 Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding FOLDRX PHARMACEUTICALS, INC. (US) 2012-12-25 US disclosed
EP-2314584-A1 2-(heteroaryl)-benzoxazole compounds and derivatives, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding Foldrx Pharmaceuticals, Inc. (US) 2011-04-27 EP disclosed
US-20110092545-A1 Compounds, Compositions and Methods for Stabilizing Transthyretin and Inhibiting Transthyretin Misfolding FoldRx Pharmaceuticals, Inc., a Massachusetts corporation 2011-04-21 US disclosed
US-20110092545-A1 Compounds, Compositions and Methods for Stabilizing Transthyretin and Inhibiting Transthyretin Misfolding FoldRx Pharmaceuticals, Inc., a Massachusetts corporation 2011-04-21 US disclosed
US-7868033-B2 Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding FOLDRX PHARMACEUTICALS, INC. (US) 2011-01-11 US disclosed
US-7868033-B2 Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding FOLDRX PHARMACEUTICALS, INC. (US) 2011-01-11 US disclosed
EP-1339701-B1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2007-02-14 EP disclosed
US-6849632-B2 Heteroaryl alkyl piperazine derivatives CV THERAPEUTICS, INC. (US) 2005-02-01 US disclosed
US-20040192702-A1 Heteroaryl alkyl piperazine derivatives ZABLOCKI JEFF (US) 2004-09-30 US disclosed
US-20040029889-A1 Heteroaryl alkyl piperazine derivatives as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. 2004-02-12 US disclosed
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives CV THERAPEUTICS, INC. 2003-11-20 US disclosed
EP-1339701-A1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2003-09-03 EP disclosed
US-6573264-B1 Protecting skeletal muscles against damage, treating shock conditions, preserving donor tissue and organs used in transplants, treating cardiovascular diseases CV THERAPEUTICS, INC. 2003-06-03 US disclosed
WO-2002064576-A1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2002-08-22 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 (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-20040029889-A1 Heteroaryl alkyl piperazine derivatives as fatty acid oxidation inhibitors CPT1B, CPT1A, ALOX15 ESR2 3010/4885ESR1 4756/4885UTRN 3383/4885
US-20040192702-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 ESR2 3636/4885ESR1 4830/4885UTRN 1904/4885
US-20110092545-A1 Compounds, Compositions and Methods for Stabilizing Transthyretin and Inhibiting Transthyretin Misfolding TTR, ALB, TTPA ESR2 3910/4885ESR1 2658/4885UTRN 266/4885
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 ESR2 3636/4885ESR1 4830/4885UTRN 1904/4885

“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.