SCHEMBL807933

SCHEMBL807933

CC(C)(C)OC(=O)NC(C(=O)NC(C)(C)C(N)=O)c1cccc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
S1PR3 Q99500 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSL P07711 1/20 0.36
DRD2 P14416 3/20 0.35
AVPR2 P30518 1/20 0.35
AVPR1A P37288 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
PNMT P11086 1/20 0.35
CXCL8 P10145 1/20 0.34
CNR1 P21554 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 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
SCHEMBL10129489 0.91 CTSS (0.43) CTSSCTSKS1PR3CTSLCXCL8
SCHEMBL15226570 0.86 MEN1 (0.40) MEN1MAPK1KMT2ACYP1A2CYP3A4
SCHEMBL794110 0.82 CTSS (0.44) CTSSCTSKS1PR3MEN1KMT2A
SCHEMBL807931 0.80 POLB (0.46) CTSSCTSKMAPK1CTSLAVPR2
SCHEMBL5575572 0.78 CTSS (0.46) CTSSCTSKS1PR3MEN1MAPK1
SCHEMBL807932 0.78 CYP1A2 (0.45) MEN1MAPK1KMT2ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL793458 0.77 ALDH1A1 (0.46) MEN1MAPK1KMT2ACYP1A2CYP3A4
SCHEMBL15226294 0.76 CXCL8 (0.38) KMT2ACYP2D6NFKB1CXCL8CNR1
SCHEMBL257267 0.75 AVPR2 (0.45) MEN1MAPK1KMT2ACTSLDRD2
SCHEMBL10129819 0.74 CTSS (0.46) CTSSCTSKS1PR3MEN1KMT2A

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.