SCHEMBL3558741

SCHEMBL3558741

Nc1cc(CO)cc(C(F)(F)F)c1.OCc1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
NOTUM Q6P988 1/20 0.37
IDO1 P14902 3/20 0.37
ACP1 P24666 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCD Q05655 1/20 0.35
MAOB P27338 2/20 0.32
KIF11 P52732 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.31
NR2E1 Q9Y466 1/20 0.31
CNR1 P21554 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
FLT1 P17948 1/20 0.30
KDR P35968 1/20 0.30
MTOR P42345 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
SCHEMBL129085 0.89 RXRA (0.45) RXRARXRBRXRGIDO1TSHR
SCHEMBL130263 0.89 RXRA (0.45) RXRARXRBRXRGNOTUMIDO1
Lithium Ion SCHEMBL8539074 0.86 RXRA (0.43) RXRARXRBRXRGNOTUMIDO1
SCHEMBL3552852 0.80 RXRA (0.39) RXRARXRBRXRGIDO1TSHR
SCHEMBL29426986 0.80 TSHR (0.46) NOTUMIDO1ACP1TSHRMAPK1
SCHEMBL134690 0.80 TSHR (0.46) NOTUMIDO1ACP1TSHRMAPK1
SCHEMBL790120 0.80 ACHE (0.39) IDO1MAPK1TAAR1
SCHEMBL265486 0.75 IDO1 (0.52) RXRARXRBRXRGIDO1PRKCA
SCHEMBL3985022 0.75 NOTUM (0.41) RXRARXRBRXRGNOTUMIDO1
SCHEMBL12398665 0.75 IDO1 (0.41) IDO1TSHRMAPK1MAOBNR2E1

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-1737811-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-08-10 EP disclosed
US-8193365-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-20100249024-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-09-30 US disclosed
US-7737295-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-15 US disclosed
US-20070225365-A1 Cetp Inhibitors MERCK & CO., INC. (US) 2007-09-27 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 (2 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-20070225365-A1 Cetp Inhibitors CETP, APOB, NPC1 RXRA 2001/4885RXRB 2413/4885RXRG 1901/4885
US-20100249024-A1 CETP INHIBITORS CETP, APOB, NPC1 RXRA 2001/4885RXRB 2413/4885RXRG 1901/4885

“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.