SCHEMBL3077103

SCHEMBL3077103

CC(=O)OC(C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ACP3 P15309 1/20 0.47
FFAR4 Q5NUL3 1/20 0.46
PNMT P11086 1/20 0.46
ADAMTS4 O75173 1/20 0.45
MMP13 P45452 1/20 0.45
DAO P14920 1/20 0.45
EPHX1 P07099 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR2B P41595 1/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL514285 0.86 EPHX1 (0.49) CES2NPSR1ACP3FFAR4PNMT
SCHEMBL5663860 0.83 TACR1 (0.44) CES2
SCHEMBL5664876 0.83 TACR1 (0.44) CES2
SCHEMBL27762553 0.83 CES2 (0.49) CES2NPSR1ACP3PNMTDAO
SCHEMBL23043854 0.82 PPARG (0.51) CES2NPSR1ACP3PNMTIDO1
SCHEMBL31736053 0.82 PPARG (0.51) CES2NPSR1ACP3PNMTIDO1
SCHEMBL29684562 0.82 PPARG (0.51) CES2NPSR1ACP3PNMTIDO1
SCHEMBL9237550 0.81 CES2 (0.47) CES2NPSR1ACP3PNMTDAO
SCHEMBL8410671 0.81 NPSR1 (0.50) CES2NPSR1ACP3FFAR4PNMT
SCHEMBL7148445 0.81 PNMT (0.57) CES2NPSR1ACP3PNMTEPHX1

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-20100267711-A1 METHOD OF ENHANCING CELLULAR PRODUCTION OF MOLECULAR CHAPERONE, HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE CHAPERONE PRODUCTION AND THE PREPARATION THEREOF CYTRX CORPORATION (US) 2010-10-21 US disclosed
US-7745465-B2 Method of enhancing cellular production of molecular chaperone, hydroxylamine derivatives useful for enhancing the chaperone production and the preparation thereof CYTRX CORPORATION (US) 2010-06-29 US disclosed
US-7148239-B2 Method of enhancing cellular production of molecular chaperon, hydroxylamine derivatives useful for enhancing the chaperon production and the preparation thereof CYTRX CORPORATION (US) 2006-12-12 US disclosed
US-6653326-B1 For example, N-(2-hydroxy-3-(1-piperidinyl)propoxy)-3-pyridinecarboximidoyl chloride maleate; inducing gene expression of an eukaryotic cell under physiological stress; antiallergens; autoimmune diseases; cardiovascular disorders BIOREX RESEARCH & DEVELOPMENT CO. (HU) 2003-11-25 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-20100267711-A1 METHOD OF ENHANCING CELLULAR PRODUCTION OF MOLECULAR CHAPERONE, HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE CHAPERONE PRODUCTION AND THE PREPARATION THEREOF HSPE1, HSF1, HSP90AB2P CES2 1256/4885NPSR1 3586/4885ACP3 4400/4885

“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.