SCHEMBL1932029

SCHEMBL1932029

C[C@H]([C@H](C(=O)Nc1cc(CC(C(=O)O)C2CC2)ccc1Cl)c1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 2/20 0.41
TRPV1 Q8NER1 2/20 0.39
PANK3 Q9H999 1/20 0.37
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
FFAR2 O15552 4/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
IDO1 P14902 3/20 0.35
TDO2 P48775 3/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 1/20 0.34
PTGES O14684 1/20 0.34

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
SCHEMBL1931401 0.96 KMT2A (0.40) KMT2AL3MBTL1MEN1TRPV1PANK3
SCHEMBL1905640 0.89 KMT2A (0.37) KMT2AL3MBTL1MEN1TRPV1PANK3
SCHEMBL6903201 0.87 L3MBTL1 (0.45) KMT2AL3MBTL1MEN1TRPV1PDK1
SCHEMBL1908272 0.87 L3MBTL1 (0.45) KMT2AL3MBTL1MEN1TRPV1PDK1
SCHEMBL1932640 0.87 L3MBTL1 (0.45) KMT2AL3MBTL1MEN1TRPV1PDK1
SCHEMBL12535983 0.87 L3MBTL1 (0.45) KMT2AL3MBTL1MEN1TRPV1PDK1
SCHEMBL6901054 0.87 L3MBTL1 (0.45) KMT2AL3MBTL1MEN1TRPV1PDK1
SCHEMBL1906112 0.86 KMT2A (0.36) KMT2AL3MBTL1MEN1TRPV1PANK3
Bicarbonate SCHEMBL16735616 0.85 KMT2A (0.41) KMT2AL3MBTL1MEN1TRPV1PANK3
SCHEMBL1932750 0.84 L3MBTL1 (0.47) KMT2AL3MBTL1MEN1TRPV1PDK1

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 9 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-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-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
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 KMT2A 3688/4885L3MBTL1 2594/4885MEN1 4182/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH KMT2A 3688/4885L3MBTL1 2594/4885MEN1 4182/4885

“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.