Sugi Predict

Sugi Predict / Compounds / SCHEMBL6901181

SCHEMBL6901181

SCHEMBL6901181

C[C@H]([C@H](C(=O)Nc1cc(CCC(=O)OC(C)(C)C)ccc1Cl)c1ccc(Cl)c(F)c1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KMT2A Q03164 2/20 0.34
▸ APP P05067 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ TRPV1 Q8NER1 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32

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
SCHEMBL1930502 0.93 L3MBTL1 (0.38) L3MBTL1KMT2AAAK1TRPV1SMN1; SMN2
SCHEMBL6900385 0.93 L3MBTL1 (0.38) L3MBTL1KMT2AAAK1TRPV1SMN1; SMN2
SCHEMBL1903340 0.92 L3MBTL1 (0.38) L3MBTL1KMT2ATRPV1SMN1; SMN2MEN1
SCHEMBL1932246 0.91 L3MBTL1 (0.39) L3MBTL1KMT2AAAK1TRPV1SMN1; SMN2
SCHEMBL6900256 0.91 L3MBTL1 (0.37) L3MBTL1KMT2ATRPV1SMN1; SMN2ALDH1A1
SCHEMBL1932521 0.90 L3MBTL1 (0.41) L3MBTL1KMT2ATRPV1SMN1; SMN2ALDH1A1
SCHEMBL1932902 0.90 L3MBTL1 (0.37) L3MBTL1KMT2AAAK1TRPV1SMN1; SMN2
SCHEMBL1930546 0.90 L3MBTL1 (0.44) L3MBTL1KMT2ASMN1; SMN2ALDH1A1CTDSP1
SCHEMBL6901698 0.89 LMNA (0.38) L3MBTL1KMT2AALDH1A1MEN1LMNA
SCHEMBL6900746 0.89 L3MBTL1 (0.40) L3MBTL1KMT2ATRPV1SMN1; SMN2ALDH1A1

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 L3MBTL1 2594/4885KMT2A 3688/4885APP 1156/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH L3MBTL1 2594/4885KMT2A 3688/4885APP 1156/4885

“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.