SCHEMBL3552852

SCHEMBL3552852

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
IDO1 P14902 3/20 0.37
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
NR2E1 Q9Y466 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL2773850 0.89 RXRA (0.45) RXRARXRBRXRGIDO1TSHR
SCHEMBL3558741 0.80 RXRA (0.39) RXRARXRBRXRGIDO1TSHR
SCHEMBL15651082 0.80 ACHE (0.39)
SCHEMBL5473657 0.80 TSHR (0.46) IDO1TSHRMAPK1NR2E1ALDH1A1
SCHEMBL265486 0.75 IDO1 (0.52) RXRARXRBRXRGIDO1PRKCA
SCHEMBL12398665 0.75 IDO1 (0.41) IDO1TSHRMAPK1MAOBNR2E1
SCHEMBL14785302 0.75 RXRA (0.33) RXRARXRBRXRGTSHRMAPK1
SCHEMBL14169221 0.74 IDO1 (0.44) IDO1TSHRMAOBTAAR1
SCHEMBL864911 0.74 IDO1 (0.47) 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.