Sugi Predict

Sugi Predict / Compounds / SCHEMBL6901560

SCHEMBL6901560

SCHEMBL6901560

C[C@H]([C@H](C(=O)Nc1cc(CC(C)(C)C(=O)OC(C)(C)C)ccc1Cl)c1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PDK1 Q15118 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PDK3 Q15120 1/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ FFAR2 O15552 5/20 0.35
▸ PTGES2 Q9H7Z7 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HTRA1 Q92743 2/20 0.34
▸ GRN P28799 1/20 0.33

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
SCHEMBL1903193 0.91 L3MBTL1 (0.37) TRPV1L3MBTL1KMT2AMEN1PDK1
SCHEMBL1931867 0.89 MEN1 (0.42) TRPV1L3MBTL1KMT2AMEN1PDK1
SCHEMBL1903340 0.85 L3MBTL1 (0.38) TRPV1L3MBTL1KMT2AMEN1PDK1
SCHEMBL9899687 0.83 TRPV1 (0.36) TRPV1L3MBTL1KMT2AMEN1PDK1
SCHEMBL10006450 0.83 TRPV1 (0.36) TRPV1L3MBTL1KMT2AMEN1PDK1
SCHEMBL1931835 0.82 L3MBTL1 (0.40) TRPV1L3MBTL1KMT2AMEN1PDK1
SCHEMBL1931744 0.82 L3MBTL1 (0.40) TRPV1L3MBTL1KMT2AMEN1PDK1
SCHEMBL6900965 0.82 L3MBTL1 (0.40) TRPV1L3MBTL1KMT2AMEN1PDK1
SCHEMBL1930555 0.82 L3MBTL1 (0.40) TRPV1L3MBTL1KMT2AMEN1PDK1
SCHEMBL10006333 0.81 TRPV1 (0.35) TRPV1L3MBTL1KMT2AMEN1PDK1

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
US-9018414-B2 Substituted 3-phenylpropionic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 — — US disclosed
US-9018414-B2 Substituted 3-phenylpropionic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 — — US disclosed
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-22 — — US disclosed
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-22 — — US disclosed
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 — — US disclosed
WO-2011051165-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-05 — — 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 (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-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH TRPV1 1672/4885L3MBTL1 2594/4885KMT2A 3688/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH TRPV1 1672/4885L3MBTL1 2594/4885KMT2A 3688/4885

“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.