SCHEMBL10197474

SCHEMBL10197474

Cc1ccc(CC(C(=O)O)N(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
PPARG P37231 3/20 0.45
PPARA Q07869 2/20 0.45
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
FFAR1 O14842 1/20 0.41
HPGD P15428 1/20 0.41
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 2/20 0.41
AKR1C3 P42330 2/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
ALB P02768 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX5 P09917 1/20 0.41
RARB P10826 1/20 0.41

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
SCHEMBL9181514 0.87 PPARG (0.44) PPARGPPARAKMT2ATDP1FFAR1
SCHEMBL38224 0.85 SLC7A5 (0.55) ALDH1A1MAPTESR1
SCHEMBL38225 0.85 SLC7A5 (0.55) ALDH1A1MAPTESR1
SCHEMBL21899391 0.85 SLC7A5 (0.55) ALDH1A1MAPTESR1
SCHEMBL15778554 0.85 ALDH1A1 (0.43) ALDH1A1MAPTPPARGPPARAKMT2A
SCHEMBL121728 0.85 MAPT (0.61) ALDH1A1MAPTPPARGKMT2ATDP1
SCHEMBL756362 0.85 MAPT (0.61) ALDH1A1MAPTPPARGKMT2ATDP1
SCHEMBL121727 0.85 MAPT (0.61) ALDH1A1MAPTPPARGKMT2ATDP1
SCHEMBL13656585 0.84 PPARG (0.42) PPARGPPARAKMT2ATDP1FFAR1
SCHEMBL19732329 0.84 ALDH1A1 (0.45) ALDH1A1MAPTPPARGKMT2AMEN1

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 3 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
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 US 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 ALDH1A1 2474/4885MAPT 4543/4885PPARG 3651/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME ALDH1A1 2474/4885MAPT 4543/4885PPARG 3651/4885

“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.