Sugi Predict

Sugi Predict / Compounds / SCHEMBL10130107

SCHEMBL10130107

SCHEMBL10130107

COCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.48
▸ IL1B P01584 1/20 0.43
▸ P2RX7 Q99572 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.41
▸ GPR139 Q6DWJ6 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CTSA P10619 2/20 0.40
▸ TACR1 P25103 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ PPARG P37231 2/20 0.40
▸ SLC22A12 Q96S37 1/20 0.40
▸ ALDH1A1 P00352 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
SCHEMBL807712 0.90 RORC (0.43) FAAHRXFP1GPR139NPSR1CTSA
SCHEMBL15226424 0.89 HPGD (0.54) HPGDIL1BP2RX7RXFP1GPR139
SCHEMBL22188664 0.85 FAAH (0.44) FAAHRXFP1GPR139NPSR1SMN1; SMN2
SCHEMBL20743557 0.84 FAAH (0.45) IL1BP2RX7FAAHRXFP1NPSR1
SCHEMBL30412448 0.82 CTSA (0.53) FAAHRXFP1NPSR1CTSA
SCHEMBL19283496 0.82 CTSA (0.53) FAAHRXFP1NPSR1CTSA
SCHEMBL20792285 0.82 FAAH (0.46) FAAHRXFP1NPSR1SMN1; SMN2CTSA
SCHEMBL15226726 0.82 CTSA (0.53) FAAHRXFP1NPSR1CTSA
SCHEMBL27924914 0.82 FAAH (0.41) IL1BP2RX7FAAHRXFP1GPR139
SCHEMBL794335 0.82 FAAH (0.41) IL1BP2RX7FAAHRXFP1GPR139

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 474/4885IL1B 3506/4885P2RX7 2380/4885

“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.