SCHEMBL273388

SCHEMBL273388

COC(=O)c1cccc2cc(CC(=O)O)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.54
DHODH Q02127 2/20 0.50
PTGS1 P23219 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
NR1H4 Q96RI1 2/20 0.49
GAA P10253 2/20 0.47
SCN9A Q15858 1/20 0.46
PDE4B Q07343 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
CACNA1B Q00975 1/20 0.43

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
SCHEMBL272907 0.87 DHODH (0.47) AKR1B1DHODHGAASCN9APDE4B
SCHEMBL345117 0.87 DHODH (0.50) DHODHGAASCN9APDE4BALDH1A1
SCHEMBL27592569 0.85 CA12 (0.53) DHODHGAASCN9APDE4BALDH1A1
SCHEMBL275086 0.84 DHODH (0.48) DHODHGAASCN9APDE4BALDH1A1
SCHEMBL344926 0.83 DHODH (0.53) DHODHGAASCN9APDE4BALDH1A1
SCHEMBL273923 0.81 DHODH (0.43) DHODHSCN9APDE4BALDH1A1KDM4E
SCHEMBL345007 0.81 DHODH (0.54) DHODHSCN9APDE4BALDH1A1KDM4E
SCHEMBL343997 0.80 DHODH (0.56) DHODHMAPK8
SCHEMBL31074309 0.79 GAA (0.60) AKR1B1DHODHPTGS1AKR1C3AKR1C2
SCHEMBL11741419 0.79 GAA (0.60) AKR1B1DHODHPTGS1AKR1C3AKR1C2

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-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-05-17 US disclosed
US-8133886-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2012-03-13 US disclosed
EP-2371822-A1 Heterobicyclic carboxamides as inhibitors for kinases Novartis AG (CH) 2011-10-05 EP disclosed
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-1996558-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 EP disclosed
WO-2007104538-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2007-09-20 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-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers SLC8B1, MCU, GLS AKR1B1 1483/4885DHODH 2404/4885PTGS1 681/4885
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES MAP3K20, PHKG1, PHKG2 AKR1B1 2891/4885DHODH 2882/4885PTGS1 1745/4885

“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.