SCHEMBL4564009

SCHEMBL4564009

CC(O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
AR P10275 1/20 0.43
MAPT P10636 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
IDO1 P14902 2/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
RXRG P48443 1/20 0.38
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
CA2 P00918 1/20 0.35
XPO1 O14980 1/20 0.35

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
SCHEMBL25485509 0.91 RAPGEF4 (0.46) CES2ARMAPTMEN1KMT2A
SCHEMBL7216715 0.83 CES2 (0.48) CES2ARMAPTMEN1KMT2A
SCHEMBL440959 0.78 CES2 (0.58) CES2MAPTIDO1RXRARXRB
SCHEMBL16234266 0.77 CES2 (0.46) CES2ARMAPTIDO1RXRA
SCHEMBL22861023 0.77 GABRB2 (0.52) CES2ARMAPTIDO1RAPGEF4
SCHEMBL1104677 0.77 GABRB2 (0.52) CES2ARMAPTIDO1RAPGEF4
SCHEMBL25485527 0.77 GABRA1 (0.60) MAPTMEN1KMT2ARXRARXRB
SCHEMBL25489518 0.77 CES2 (0.52) CES2ARMAPTIDO1RXRA
SCHEMBL19130784 0.75 TSHR (0.50) CES2MAPTMEN1KMT2A
SCHEMBL19124474 0.75 TSHR (0.50) CES2MAPTMEN1KMT2A

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-10385004-B2 Process and intermediates for the preparation of NEP inhibitors NOVARTIS AG (CH) 2019-08-20 US disclosed
US-20180022690-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS NOVARTIS PHARMA AG (CH) 2018-01-25 US disclosed
EP-2041088-A1 GLYCINE TRANSPORTER-1 INHIBITORS Amgen Inc. (US) 2009-04-01 EP disclosed
WO-2008002583-A1 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC. (US) 2008-01-03 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 (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-10385004-B2 Process and intermediates for the preparation of NEP inhibitors MME, ACE, REN CES2 1630/4885AR 1038/4885MAPT 326/4885
US-20180022690-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS MME, ACE, REN CES2 1630/4885AR 1038/4885MAPT 326/4885

“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.