SCHEMBL6498137

SCHEMBL6498137

CC(C)c1ncc(C(=O)O)c(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
PTPN1 P18031 1/20 0.41
DHODH Q02127 2/20 0.40
KDM5B Q9UGL1 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
CASR P41180 1/20 0.39
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
MAP4K4 O95819 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
SORT1 Q99523 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL6637844 0.83 MAPT (0.51) POLBDHODHJUNNFKB1NFKB2
SCHEMBL6491306 0.82 PTPN1 (0.46) PTPN1DHODHCASRJUNNFKB1
SCHEMBL400608 0.73 NTRK1 (0.52) PTPN1DHODHRXRARXRBSORT1
SCHEMBL28758109 0.71 KDM4E (0.59) JUNNFKB1NFKB2RELAMAP4K4
SCHEMBL23792231 0.71 SORT1 (0.42) DHODHPTGS1PTGS2NFKB1ALOX5AP
SCHEMBL7822583 0.71 MAPK1 (0.46) POLBDHODHMAP4K4RXRARXRB
SCHEMBL6165242 0.70 ALOX5AP (0.46) DHODHALOX5APFEN1MAP4K4CYP2C8
SCHEMBL16973966 0.70 NR1H4 (0.48) DHODHAKR1C3AKR1C2RXRARXRB
SCHEMBL13561324 0.70 RARA (0.43) POLBPTGS1PTGS2MAP4K4RXRA
SCHEMBL1549378 0.70 NFKB1 (0.47) JUNNFKB1NFKB2RELAMAP4K4

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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
EP-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 POLB 1962/4885PTPN1 1797/4885DHODH 4644/4885
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 POLB 1626/4885PTPN1 1238/4885DHODH 4355/4885

“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.