SCHEMBL807934

SCHEMBL807934

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.56
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
TSHR P16473 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.40

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 SCHEMBL15226571 0.99 HPGD (0.54) HPGDALDH1A1TP53L3MBTL1CNR2
SCHEMBL15226913 0.87 HPGD (0.53) HPGDALDH1A1TP53L3MBTL1CNR2
SCHEMBL10129768 0.85 CNR2 (0.46) HPGDALDH1A1CNR2SMN1; SMN2TSHR
SCHEMBL10129764 0.85 CNR2 (0.43) HPGDALDH1A1CNR2CNR1SMN1; SMN2
Hydrochloric Acid SCHEMBL15226694 0.84 CNR2 (0.45) HPGDALDH1A1CNR2SMN1; SMN2TSHR
SCHEMBL14696277 0.84 HPGD (0.61) HPGDALDH1A1L3MBTL1SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL15226485 0.84 CNR2 (0.43) HPGDALDH1A1CNR2CNR1SMN1; SMN2
SCHEMBL16715294 0.81 HPGD (0.49) HPGDALDH1A1CNR2CNR1SMN1; SMN2
SCHEMBL10129808 0.81 AVPR2 (0.49) HPGDALDH1A1CNR2CNR1SMN1; SMN2
SCHEMBL15226574 0.79 CNR2 (0.43) HPGDALDH1A1TP53L3MBTL1CNR2

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 HPGD 474/4885ALDH1A1 409/4885TP53 2014/4885

“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.