SCHEMBL3069023

SCHEMBL3069023

CC(C)(C)OC(=O)c1cc(-c2ccc(F)cc2F)cc(C(O)C(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.42
AKR1C3 P42330 6/20 0.36
AKR1C2 P52895 6/20 0.36
NR3C2 P08235 2/20 0.35
TTR P02766 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DHFR P00374 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.34
ALB P02768 1/20 0.34
HMGB1 P09429 1/20 0.34
HPGD P15428 1/20 0.34
CXCL12 P48061 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34

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
SCHEMBL3063235 0.82 TTR (0.45) APPAKR1C3AKR1C2TTRKDM4E
SCHEMBL3075835 0.77 PTGS2 (0.46) APPAKR1C3AKR1C2TTRCA1
SCHEMBL3801494 0.75 APP (0.38) APPAKR1C3AKR1C2NR3C2TTR
SCHEMBL3072322 0.74 NOTUM (0.39) CA1CA2GABRA1GABRG2GABRB3
SCHEMBL16510084 0.70 AKR1C3 (0.32) AKR1C3
SCHEMBL21048472 0.69 WDR5 (0.38) GABRA5
SCHEMBL2262167 0.69 ALPL (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21091768 0.69 AKR1C3 (0.43) AKR1C3
SCHEMBL9893460 0.69 ACMSD (0.64) APPAKR1C3AKR1C2TTRKDM4E
SCHEMBL2271964 0.68 TTR (0.46) APPAKR1C3AKR1C2NR3C2TTR

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
EP-2215049-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2019-06-12 EP disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
EP-2215049-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2010-08-11 EP disclosed
WO-2009058298-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK & CO., INC. (US) 2009-05-07 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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 APP 1773/4885AKR1C3 1750/4885AKR1C2 3093/4885

“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.