SCHEMBL3587908

SCHEMBL3587908

CC(C)(C)c1cccc(-c2ccc(C(N)=O)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.73
RXRB P28702 4/20 0.73
DHODH Q02127 3/20 0.61
KIF11 P52732 2/20 0.53
RXRG P48443 1/20 0.51
KDR P35968 1/20 0.51
PLG P00747 1/20 0.49
PLAU P00749 1/20 0.49
PLAT P00750 1/20 0.49
MKNK1 Q9BUB5 3/20 0.49
MKNK2 Q9HBH9 3/20 0.49
AOC3 Q16853 2/20 0.48
ACHE P22303 1/20 0.46
F9 P00740 1/20 0.45

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
SCHEMBL13524610 0.85 RXRB (0.76) RXRARXRBDHODHKIF11RXRG
SCHEMBL13422461 0.85 RXRB (1.00) RXRARXRBDHODHKIF11RXRG
SCHEMBL17806562 0.82 EPHX2 (0.60) RXRARXRBDHODHKIF11RXRG
SCHEMBL21448425 0.81 RXRA (0.69) RXRARXRBKIF11RXRGPLAU
SCHEMBL179447 0.80 ACHE (0.62) RXRARXRBDHODHKIF11ACHE
SCHEMBL28230895 0.80 RXRA (0.69) RXRARXRBDHODHRXRGKDR
SCHEMBL27659191 0.80 KIF11 (0.76) RXRARXRBDHODHKIF11RXRG
SCHEMBL22367342 0.80 MKNK1 (0.64) DHODHMKNK1MKNK2AOC3
SCHEMBL2589651 0.78 ERN1 (0.60) DHODHMKNK1MKNK2
SCHEMBL17105790 0.78 KIF11 (0.68) RXRARXRBDHODHKIF11

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 4 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 claimed
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 US claimed
EP-1996558-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 EP claimed
WO-2007104538-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2007-09-20 WO claimed

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 RXRA 4623/4885RXRB 4597/4885DHODH 2404/4885
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES MAP3K20, PHKG1, PHKG2 RXRA 4086/4885RXRB 3617/4885DHODH 2882/4885

“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.