SCHEMBL807932

SCHEMBL807932

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
NFKB1 P19838 1/20 0.45
PNMT P11086 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
CNR1 P21554 1/20 0.41
CXCL8 P10145 3/20 0.40
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
MAPK14 Q16539 2/20 0.35

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
Hydrochloric Acid SCHEMBL793458 0.99 ALDH1A1 (0.46) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL807715 0.89 CXCL8 (0.41) CYP1A2CYP3A4CYP2D6NFKB1LMNA
Hydrochloric Acid SCHEMBL793975 0.87 BLM (0.41) CYP1A2CYP3A4CYP2D6NFKB1ALDH1A1
SCHEMBL15226570 0.82 MEN1 (0.40) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL793190 0.80 MEN1 (0.39) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL807933 0.78 CTSS (0.39) CYP1A2CYP3A4CYP2D6NFKB1PNMT
Hydrochloric Acid SCHEMBL15226619 0.77 ALDH1A1 (0.46) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL807758 0.76 CNR2 (0.41) CYP1A2CYP3A4ALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL15226476 0.75 CNR2 (0.40) CYP1A2CYP3A4ALDH1A1LMNAMEN1
SCHEMBL5575521 0.75 CXCL8 (0.53) CYP2D6NFKB1ALDH1A1MEN1KMT2A

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 CYP1A2 224/4885CYP3A4 437/4885CYP2D6 613/4885

“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.