SCHEMBL3703095

SCHEMBL3703095

O=[C][C@H](Cc1ccccc1)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.54
NPSR1 Q6W5P4 1/20 0.49
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49
NAALAD2 Q9Y3Q0 2/20 0.48
CYP1A2 P05177 1/20 0.47
MMP2 P08253 5/20 0.47
MMP9 P14780 4/20 0.47
CTSC P53634 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADAMTS4 O75173 1/20 0.47
FOLH1 Q04609 1/20 0.46

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
Hydrochloric Acid SCHEMBL9439449 0.84 CTSC (0.58) MMENPSR1CYP1A2CTSC
Hydrochloric Acid SCHEMBL9439452 0.84 CTSC (0.58) MMENPSR1CYP1A2CTSC
SCHEMBL9068541 0.84 MME (0.70) MMENPSR1ALPIPKMPTGS1
SCHEMBL7379335 0.84 MME (0.70) MMENPSR1ALPIPKMPTGS1
SCHEMBL8835601 0.77 MME (0.58) MMENPSR1NAALAD2CYP1A2MMP2
SCHEMBL2781126 0.77 MME (0.58) MMENPSR1NAALAD2CYP1A2L3MBTL1
SCHEMBL123574 0.77 MME (0.58) MMENPSR1NAALAD2CYP1A2L3MBTL1
SCHEMBL3506387 0.77 MME (0.58) MMENPSR1NAALAD2CYP1A2MMP2
SCHEMBL8835606 0.77 MME (0.58) MMENPSR1NAALAD2CYP1A2MMP2
SCHEMBL15592756 0.77 MME (0.58) MMENPSR1NAALAD2CYP1A2L3MBTL1

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-8993631-B2 Method of treating contrast-induced nephropathy NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20140336194-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2014-11-13 US disclosed
EP-2640375-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY Novartis AG (CH) 2013-09-25 EP disclosed
WO-2012065958-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-24 WO disclosed
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 US disclosed
EP-0054862-B1 SUBSTITUTED DIPEPTIDES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THE INHIBITION OF ENKEPHALINASE SCHERING CORPORATION (US) 1985-11-27 EP 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-20140336194-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME MME 3/4885NPSR1 266/4885ALPI 1074/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME MME 3/4885NPSR1 266/4885ALPI 1074/4885

“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.