SCHEMBL807938

SCHEMBL807938

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.44
PPARG P37231 2/20 0.43
SLC22A12 Q96S37 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
TACR1 P25103 4/20 0.42
CES2 O00748 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
BCHE P06276 1/20 0.39
TACR3 P29371 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACP3 P15309 1/20 0.39

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
Hydrochloric Acid SCHEMBL15226710 0.99 IDO1 (0.44) PNMTPPARGSLC22A12IDO1TDO2
SCHEMBL10129767 0.85 PNMT (0.48) PNMTTACR1CES2ALDH1A1POLB
Hydrochloric Acid SCHEMBL15226247 0.84 PNMT (0.47) PNMTIDO1TDO2TACR1CES2
SCHEMBL807753 0.82 PNMT (0.46) PNMTTACR1CES2ALDH1A1POLB
SCHEMBL15226603 0.82 TACR1 (0.46) PPARGSLC22A12IDO1TDO2TACR1
SCHEMBL807752 0.82 PNMT (0.43) PNMTTACR1CES2ALDH1A1POLB
Hydrochloric Acid SCHEMBL15226370 0.81 PNMT (0.45) PNMTIDO1TDO2TACR1CES2
Hydrochloric Acid SCHEMBL15226536 0.81 F9 (0.42) PNMTIDO1TDO2TACR1CES2
SCHEMBL807382 0.79 CTSS (0.51) PPARGSLC22A12TACR1ALDH1A1POLB
SCHEMBL27906855 0.78 PPARG (0.42) PNMTPPARGSLC22A12TACR1CES2

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 6 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
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 PNMT 20/4885PPARG 35/4885SLC22A12 1940/4885

“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.