SCHEMBL1595963

SCHEMBL1595963

COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 4/20 0.56
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
HSD11B1 P28845 1/20 0.51
POLB P06746 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL10615422 0.85 ALDH1A1 (0.72) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL23601591 0.85 ALDH1A1 (0.72) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL21501052 0.85 HSD11B1 (0.67) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL19597541 0.85 ALDH1A1 (0.70) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL19597540 0.85 ALDH1A1 (0.70) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL21501050 0.83 ALDH1A1 (0.56) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL21501014 0.83 ALDH1A1 (0.56) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL21501019 0.83 ALDH1A1 (0.56) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL1597751 0.83 ALDH1A1 (0.57) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL17446827 0.80 KMT2A (0.46) KMT2AMEN1ALDH1A1GAAPOLB

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919515-B2 3-phenylpropionic acid derivatives ADAMED SP. Z O.O. (PL) 2011-04-05 US disclosed
US-7919515-B2 3-phenylpropionic acid derivatives ADAMED SP. Z O.O. (PL) 2011-04-05 US disclosed
US-7919515-B2 3-phenylpropionic acid derivatives ADAMED SP. Z O.O. (PL) 2011-04-05 US disclosed
US-7629370-B2 3-phenylpropionic acid derivatives ADAMED SP. Z O.O. (PL) 2009-12-08 US disclosed
US-7629370-B2 3-phenylpropionic acid derivatives ADAMED SP. Z O.O. (PL) 2009-12-08 US disclosed
EP-1874745-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR- GAMMA RECEPTOR LIGANDS Adamed SP. Z O.O. (PL) 2008-01-09 EP disclosed
US-7312338-B2 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-12-25 US disclosed
US-7312338-B2 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-12-25 US disclosed
US-7312338-B2 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-12-25 US disclosed
US-7309791-B2 3-phenylpropionic acid derivatives ADAMED SP. Z.O.O (PL) 2007-12-18 US disclosed
US-7220766-B2 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-05-22 US disclosed
US-7220766-B2 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-05-22 US disclosed
US-20070088061-A1 New 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-04-19 US disclosed
US-20070088061-A1 New 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-04-19 US disclosed
US-20070088061-A1 New 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-04-19 US disclosed
WO-2006077206-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR- GAMMA REZEPTOR LIGANDEN ADAMED SP. Z O.O. (PL) 2006-07-27 WO disclosed
WO-2006077217-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES ADAMED SP. Z O.O. (PL) 2006-07-27 WO disclosed
US-20060160870-A1 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2006-07-20 US disclosed
US-20060160868-A1 3-Phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2006-07-20 US disclosed
WO-2006067086-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES ADAMED SP. Z O.O. (PL) 2006-06-29 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 (3 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-20070088061-A1 New 3-phenylpropionic acid derivatives PPARA, PPARD, PPARG KMT2A 3855/4885MEN1 4733/4885NPC1 568/4885
US-20060160870-A1 3-phenylpropionic acid derivatives PPARA, PPARG, PPARD KMT2A 4042/4885MEN1 4724/4885NPC1 582/4885
US-20060160868-A1 3-Phenylpropionic acid derivatives PPARA, PPARG, PPARD KMT2A 4155/4885MEN1 4549/4885NPC1 647/4885

“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.