SCHEMBL2183595

SCHEMBL2183595

Fc1cc(C(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.37
IDO1 P14902 2/20 0.34
TDO2 P48775 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
SOS1 Q07889 2/20 0.33
PNMT P11086 1/20 0.32
KLRK1 P26718 1/20 0.31
MICA Q29983 1/20 0.31
RAET1L Q5VY80 1/20 0.31
AKT1 P31749 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
TACR1 P25103 2/20 0.30
CXCR2 P25025 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
SCHEMBL5778880 0.85 CES2 (0.48) CES2IDO1TDO2PNMTTACR1
SCHEMBL30705303 0.80 IDO1 (0.33) CES2IDO1TDO2RXRARXRB
SCHEMBL17449150 0.80 GABRA1 (0.34)
SCHEMBL8127537 0.80 PDE2A (0.35) IDO1TDO2RXRARXRBRXRG
SCHEMBL4461544 0.77 CES2 (0.48) CES2IDO1RXRARXRBRXRG
SCHEMBL9693899 0.77 CES2 (0.42) CES2IDO1RXRARXRBRXRG
SCHEMBL25429733 0.77 RXRA (0.35) IDO1TDO2RXRARXRBRXRG
SCHEMBL1295467 0.77 TACR1 (0.33) IDO1TDO2RXRARXRBRXRG
SCHEMBL17069190 0.77 PDE2A (0.37) IDO1TDO2RXRARXRBRXRG
SCHEMBL21297480 0.77 TACR1 (0.33) IDO1TDO2RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US disclosed
CN-101896461-A Gamma secretase modulators AMGEN INC 2010-11-24 CN disclosed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP disclosed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 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-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 CES2 2255/4885IDO1 4594/4885TDO2 4772/4885

“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.