SCHEMBL807382

SCHEMBL807382

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
TACR1 P25103 5/20 0.45
TACR3 P29371 4/20 0.45
HTRA1 Q92743 1/20 0.43
PPARG P37231 2/20 0.41
SLC22A12 Q96S37 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
EGFR P00533 1/20 0.40
GPR88 Q9GZN0 1/20 0.39
FAAH O00519 1/20 0.39
S1PR3 Q99500 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL807711 0.88 CTSS (0.54) CTSSCTSKTACR1TACR3HTRA1
SCHEMBL15226603 0.87 TACR1 (0.46) TACR1TACR3PPARGSLC22A12MEN1
SCHEMBL794152 0.85 CTSS (0.51) CTSSCTSKTACR1TACR3HTRA1
SCHEMBL807710 0.85 CTSS (0.51) CTSSCTSKTACR1TACR3HTRA1
SCHEMBL29072735 0.82 CTSS (0.50) CTSSCTSKTACR1TACR3HTRA1
SCHEMBL6917242 0.81 CTSS (0.49) CTSSCTSKTACR1TACR3HTRA1
SCHEMBL807745 0.80 CTSS (0.48) CTSSCTSKTACR1TACR3HTRA1
SCHEMBL20764658 0.80 CTSS (0.49) CTSSCTSKPPARGRXFP1S1PR3
SCHEMBL381877 0.80 CTSS (0.49) CTSSCTSKPPARGRXFP1S1PR3
SCHEMBL13168021 0.80 CTSS (0.49) CTSSCTSKPPARGRXFP1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616448-B1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER IP GMBH (DE) 2016-07-20 EP disclosed
US-9034855-B2 Substituted phenylacetate and phenylpropane amides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-19 US disclosed
US-9034855-B2 Substituted phenylacetate and phenylpropane amides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-19 US disclosed
US-20130231313-A1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-05 US disclosed
US-20130231313-A1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-05 US disclosed
CN-103119027-A Substituted phenylacetate and phenylpropane amides and use thereof BAYER IP GMBH 2013-05-22 CN disclosed
WO-2012035075-A1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-22 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-20130231313-A1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF AADAC, NAT1, DNPEP CTSS 1648/4885CTSK 2128/4885TACR1 3040/4885

“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.