SCHEMBL349307

SCHEMBL349307

O=C(O)C[C@H](NC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.58
ITGA2 P17301 3/20 0.58
ALOX5 P09917 2/20 0.50
LMNA P02545 2/20 0.47
CYP26A1 O43174 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 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
SCHEMBL349308 1.00 ITGB3 (0.58) ITGB3ITGA2ALOX5LMNACYP26A1
SCHEMBL350064 0.95 ITGB3 (0.62) ITGB3ITGA2ALOX5LMNACYP26A1
SCHEMBL350063 0.95 ITGB3 (0.62) ITGB3ITGA2ALOX5LMNACYP26A1
SCHEMBL3679858 0.86 CA2 (0.48) ITGB3ITGA2ALOX5SMN1; SMN2PKM
SCHEMBL3681590 0.86 ITGB3 (0.47) ITGB3ITGA2ALOX5LMNACYP26A1
SCHEMBL4462369 0.86 ITGB3 (0.47) ITGB3ITGA2ALOX5LMNACYP26A1
SCHEMBL2850903 0.84 NPC1 (0.57) ITGB3ITGA2CYP26A1KMT2AMEN1
SCHEMBL4028148 0.81 NPC1 (0.54) ITGB3ITGA2KMT2AMEN1MAPT
SCHEMBL7591232 0.81 NPC1 (0.54) ITGB3ITGA2KMT2AMEN1MAPT
SCHEMBL4028151 0.81 NPC1 (0.54) ITGB3ITGA2KMT2AMEN1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252393-B1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES EVONIK DEGUSSA GMBH (DE) 2014-04-30 EP disclosed
US-8647882-B2 Chiral selectors and stationary phases for separating enantiomer mixtures EVONIK DEGUSSA GMBH (DE) 2014-02-11 US disclosed
US-8268631-B2 Chiral selectors and stationary phases for separating enantiomer mixtures EVONIK DEGUSSA GMBH (DE) 2012-09-18 US disclosed
US-20120015443-A1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES EVONIK DEGUSSA GMBH (DE) 2012-01-19 US disclosed
EP-2252393-A1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES Evonik Degussa GmbH (DE) 2010-11-24 EP disclosed
US-20090229352-A1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES EVONIK DEGUSSA GMBH (DE) 2009-09-17 US disclosed
WO-2009112325-A1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES EVONIK DEGUSSA GMBH (DE) 2009-09-17 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-20120015443-A1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES BCAT2, BCAT1, SLC43A1 ITGB3 3802/4885ITGA2 3095/4885ALOX5 4649/4885
US-20090229352-A1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES BCAT2, BCAT1, SLC43A1 ITGB3 3802/4885ITGA2 3095/4885ALOX5 4649/4885

“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.