SCHEMBL807942

SCHEMBL807942

CC(C)(NC(=O)C(NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C2CC2)c1=O)c1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.49
AVPR1A P37288 11/20 0.49
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
SHMT1 P34896 1/20 0.37
SHMT2 P34897 1/20 0.37
GPR139 Q6DWJ6 3/20 0.35
P2RX3 P56373 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
SCHEMBL10129814 0.93 AVPR2 (0.48) AVPR2AVPR1AMAPTTP53GPR139
SCHEMBL12057132 0.90 AVPR2 (0.54) AVPR2AVPR1AMAPTTP53GPR139
Bicarbonate SCHEMBL17923259 0.88 AVPR2 (0.50) AVPR2AVPR1AMAPTTP53GPR139
SCHEMBL8227831 0.88 AVPR2 (0.51) AVPR2AVPR1AMAPTTP53GPR139
SCHEMBL12057144 0.87 AVPR2 (0.53) AVPR2AVPR1AMAPTTP53GPR139
SCHEMBL807411 0.87 AVPR2 (0.49) AVPR2AVPR1AMAPTTP53GPR139
SCHEMBL8235594 0.87 AVPR2 (0.52) AVPR2AVPR1A
SCHEMBL10129492 0.86 AVPR2 (0.48) AVPR2AVPR1AMAPTTP53GPR139
SCHEMBL4504833 0.85 AVPR2 (0.54) AVPR2AVPR1AMAPTTP53GPR139
SCHEMBL8235491 0.85 AVPR2 (0.56) AVPR2AVPR1AMAPTTP53GPR139

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 7 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
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 AVPR2 905/4885AVPR1A 751/4885MAPT 2167/4885

“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.