SCHEMBL12274686

SCHEMBL12274686

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSA P10619 7/20 0.50
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
CNR2 P34972 1/20 0.45
AVPR2 P30518 3/20 0.44
AVPR1A P37288 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL27924870 1.00 CTSA (0.50) CTSALMNAPOLBCNR2AVPR2
SCHEMBL10216855 0.87 LMNA (0.48) LMNAPOLBCNR2AVPR2AVPR1A
SCHEMBL10217086 0.86 LMNA (0.47) LMNAPOLBCNR2AVPR2AVPR1A
SCHEMBL10216766 0.86 LMNA (0.47) LMNAPOLBCNR2AVPR2AVPR1A
SCHEMBL19265317 0.85 LMNA (0.46) LMNAPOLBCNR2AVPR2AVPR1A
SCHEMBL10216923 0.85 LMNA (0.46) LMNAPOLBCNR2AVPR2AVPR1A
SCHEMBL17841293 0.85 CTSA (0.50) CTSACTSSCTSK
SCHEMBL1157183 0.85 CTSA (0.50) CTSACTSSCTSK
SCHEMBL12522403 0.84 LMNA (0.45) LMNAPOLBCNR2AVPR2AVPR1A
SCHEMBL807809 0.84 AVPR2 (0.44) CTSALMNAPOLBCNR2AVPR2

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 4 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-20130231313-A1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-05 US disclosed
US-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-20 US 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 (2 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 CTSA 58/4885LMNA 523/4885POLB 2129/4885
US-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 CTSA 266/4885LMNA 726/4885POLB 3872/4885

“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.