SCHEMBL4947449

SCHEMBL4947449

C[N]C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.59
NOTUM Q6P988 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
P2RX1 P51575 2/20 0.41
HIF1A Q16665 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TACR1 P25103 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CES1 P23141 1/20 0.39

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
SCHEMBL8689909 0.81 CES2 (0.65) CES2GAAP2RX1MEN1KMT2A
SCHEMBL23341243 0.81 CES2 (0.68) CES2NOTUMGAAMAPTRXRA
SCHEMBL10986357 0.79 CES2 (0.59) CES2MAPTMEN1KMT2ACES1
SCHEMBL2365619 0.77 CES2 (0.50) CES2NOTUMGAAMAPTRXRA
SCHEMBL12288118 0.77 CES2 (0.50) CES2NOTUMGAAMAPTRXRA
SCHEMBL8767972 0.76 CES2 (0.55) CES2GAAMAPTRXRARXRB
SCHEMBL96116 0.76 CES2 (0.67) CES2NOTUMGAAMAPTRXRA
SCHEMBL25658887 0.75 CES2 (0.48) CES2GAAMAPTKMT2A
SCHEMBL16180051 0.75 CES2 (0.73) CES2NOTUMGAAMAPTRXRA
Hydrochloric Acid SCHEMBL8503522 0.75 CES2 (0.53) CES2GAAMAPTRXRARXRB

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-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO disclosed
US-4528379-A Preparation of substituted thiadiazolyloxyacetamides BAYER AKTIENGESELLSCHAFT (DE) 1985-07-09 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-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA CES2 511/4885NOTUM 154/4885GAA 1405/4885

“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.