SCHEMBL10129808

SCHEMBL10129808

COCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.49
AVPR1A P37288 3/20 0.49
HPGD P15428 3/20 0.46
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
CNR2 P34972 3/20 0.40
CNR1 P21554 2/20 0.40
ALDH1A1 P00352 1/20 0.38
CTSA P10619 5/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL807809 0.89 AVPR2 (0.44) AVPR2AVPR1AHPGDLMNAPOLB
SCHEMBL15226913 0.87 HPGD (0.53) HPGDCNR2CNR1ALDH1A1CTSA
SCHEMBL807378 0.83 CTSS (0.47) AVPR2AVPR1AHPGDLMNAPOLB
SCHEMBL12274686 0.82 CTSA (0.50) AVPR2AVPR1ALMNAPOLBCNR2
SCHEMBL27924870 0.82 CTSA (0.50) AVPR2AVPR1ALMNAPOLBCNR2
SCHEMBL807934 0.81 HPGD (0.56) HPGDCNR2CNR1ALDH1A1SMN1; SMN2
SCHEMBL10130107 0.80 HPGD (0.48) HPGDALDH1A1CTSASMN1; SMN2
Hydrochloric Acid SCHEMBL15226571 0.80 HPGD (0.54) HPGDCNR2CNR1ALDH1A1SMN1; SMN2
SCHEMBL10216855 0.80 LMNA (0.48) AVPR2AVPR1AHPGDLMNAPOLB
SCHEMBL10216766 0.79 LMNA (0.47) AVPR2AVPR1AHPGDLMNAPOLB

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 AVPR2 905/4885AVPR1A 751/4885HPGD 474/4885

“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.