SCHEMBL807931

SCHEMBL807931

CC(C)(C)OC(=O)NC(C(=O)NC(C)(C)C(N)=O)c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
CTSS P25774 4/20 0.41
CTSK P43235 3/20 0.41
CNR2 P34972 2/20 0.37
SCN9A Q15858 4/20 0.36
REN P00797 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
AVPR2 P30518 1/20 0.35
AVPR1A P37288 1/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL15226732 0.86 CNR2 (0.42) POLBCTSSCTSKCNR2MAPK1
SCHEMBL1115253 0.86 LMNA (0.48) POLBLMNACTSSCTSKCNR2
SCHEMBL10129489 0.84 CTSS (0.43) CTSSCTSKSCN9ARENCTSL
SCHEMBL1115222 0.82 LMNA (0.49) POLBLMNACTSSCTSKCNR2
SCHEMBL807933 0.80 CTSS (0.39) LMNACTSSCTSKCTSLAVPR2
SCHEMBL10130112 0.80 CTSS (0.49) POLBLMNACTSSCTSKCNR2
SCHEMBL807758 0.79 CNR2 (0.41) POLBLMNACTSSCTSKCNR2
SCHEMBL10129819 0.79 CTSS (0.46) POLBCTSSCTSKGABRB1GABRB2
Hydrochloric Acid SCHEMBL15226476 0.78 CNR2 (0.40) POLBLMNACTSSCTSKCNR2
SCHEMBL807378 0.78 CTSS (0.47) POLBLMNACTSSCTSKCNR2

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 POLB 2129/4885LMNA 523/4885CTSS 1648/4885

“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.