SCHEMBL10130112

SCHEMBL10130112

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.49
CTSK P43235 5/20 0.49
POLB P06746 2/20 0.48
LMNA P02545 1/20 0.48
AKT1 P31749 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 1/20 0.40
SCN9A Q15858 4/20 0.40
MAPK1 P28482 1/20 0.39
CNR2 P34972 1/20 0.39
AVPR2 P30518 1/20 0.39
AVPR1A P37288 1/20 0.39
SCN10A Q9Y5Y9 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
SCHEMBL807378 0.89 CTSS (0.47) CTSSCTSKPOLBLMNAAKT1
SCHEMBL15226493 0.83 CNR2 (0.47) POLBLMNACYP3A4TSHRMAPK1
SCHEMBL807809 0.82 AVPR2 (0.44) CTSSCTSKPOLBLMNACTSL
SCHEMBL1115222 0.82 LMNA (0.49) CTSSCTSKPOLBLMNACTSL
SCHEMBL1115253 0.81 LMNA (0.48) CTSSCTSKPOLBLMNACTSL
SCHEMBL807931 0.80 POLB (0.46) CTSSCTSKPOLBLMNACTSL
SCHEMBL19265317 0.79 LMNA (0.46) CTSSCTSKPOLBLMNATSHR
SCHEMBL10216923 0.79 LMNA (0.46) CTSSCTSKPOLBLMNATSHR
SCHEMBL807711 0.79 CTSS (0.54) CTSSCTSKPOLBCYP3A4
SCHEMBL10216855 0.78 LMNA (0.48) CTSSCTSKPOLBLMNACTSL

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 CTSS 1648/4885CTSK 2128/4885POLB 2129/4885

“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.