SCHEMBL10129489

SCHEMBL10129489

CC(C)(C)OC(=O)NC(C(=O)NC(C)(C)C(N)=O)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.43
CTSK P43235 4/20 0.43
S1PR3 Q99500 2/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 1/20 0.37
ATM Q13315 1/20 0.36
CXCL8 P10145 1/20 0.36
TRPA1 O75762 1/20 0.34
REN P00797 1/20 0.34
SCN9A Q15858 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 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
SCHEMBL807933 0.91 CTSS (0.39) CTSSCTSKS1PR3CTSLCXCL8
SCHEMBL5575572 0.88 CTSS (0.46) CTSSCTSKS1PR3CTSLCTSB
SCHEMBL15226294 0.85 CXCL8 (0.38) CXCL8ADRB2ADRB1
SCHEMBL807931 0.84 POLB (0.46) CTSSCTSKCTSLCTSBREN
SCHEMBL23886560 0.81 CTSS (0.49) CTSSCTSKS1PR3CTSLCTSB
SCHEMBL30370947 0.81 CTSS (0.49) CTSSCTSKS1PR3CTSLCTSB
SCHEMBL798297 0.81 CTSS (0.49) CTSSCTSKS1PR3CTSLCTSB
SCHEMBL807648 0.77 CTSS (0.49) CTSSCTSKCTSLCTSB
SCHEMBL807715 0.77 CXCL8 (0.41) CXCL8ADRB2ADRB1
Hydrochloric Acid SCHEMBL793975 0.76 BLM (0.41) CXCL8ADRB2ADRB1

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 2128/4885S1PR3 2590/4885

“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.