SCHEMBL807378

SCHEMBL807378

COCCNC(=O)C(NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.47
CTSK P43235 3/20 0.47
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
AVPR2 P30518 2/20 0.43
AVPR1A P37288 2/20 0.43
CNR2 P34972 3/20 0.41
CNR1 P21554 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
AKT1 P31749 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
SCN9A Q15858 1/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL10130112 0.89 CTSS (0.49) CTSSCTSKPOLBLMNAAVPR2
SCHEMBL15226574 0.86 CNR2 (0.43) POLBLMNACNR2CNR1KDM4E
SCHEMBL807648 0.84 CTSS (0.49) CTSSCTSKGLAHPGDAKT1
SCHEMBL10129808 0.83 AVPR2 (0.49) POLBLMNAAVPR2AVPR1ACNR2
SCHEMBL1115222 0.80 LMNA (0.49) CTSSCTSKPOLBLMNACNR2
SCHEMBL1115253 0.79 LMNA (0.48) CTSSCTSKPOLBLMNAAVPR2
SCHEMBL10129764 0.78 CNR2 (0.43) POLBLMNACNR2CNR1KDM4E
SCHEMBL807931 0.78 POLB (0.46) CTSSCTSKPOLBLMNAAVPR2
Hydrochloric Acid SCHEMBL15226485 0.77 CNR2 (0.43) POLBLMNACNR2CNR1KDM4E
SCHEMBL27924867 0.74 CNR2 (0.38) POLBLMNACNR2CNR1KDM4E

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.