SCHEMBL6491306

SCHEMBL6491306

Cc1ncc(C(=O)O)c(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.46
SORT1 Q99523 4/20 0.45
DHODH Q02127 2/20 0.45
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
NTRK1 P04629 1/20 0.43
PPARD Q03181 1/20 0.42
SYK P43405 1/20 0.42
GABBR2 O75899 3/20 0.41
GABBR1 Q9UBS5 3/20 0.41
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CASR P41180 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
MAP4K4 O95819 1/20 0.40

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
SCHEMBL6637430 0.85 MAPT (0.50) PTPN1NTRK1SYKGABBR2GABBR1
SCHEMBL1969442 0.84 NTRK1 (0.46) DHODHNTRK1
SCHEMBL1971175 0.83 SMN1; SMN2 (0.49) DHODHNTRK1
SCHEMBL6498137 0.82 POLB (0.41) PTPN1SORT1DHODHRXRARXRB
SCHEMBL400143 0.82 NTRK1 (0.60) NTRK1
SCHEMBL6488782 0.81 NPC1 (0.49) DHODHNTRK1
SCHEMBL400608 0.79 NTRK1 (0.52) PTPN1SORT1DHODHRXRARXRB
SCHEMBL28758109 0.77 KDM4E (0.59) SORT1RXRARXRBPPARDJUN
SCHEMBL1968963 0.77 MCL1 (0.50) NTRK1
SCHEMBL1967078 0.74 KMO (0.53) SORT1DHODH

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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US 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-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 PTPN1 1797/4885SORT1 3943/4885DHODH 4644/4885
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 PTPN1 1238/4885SORT1 2352/4885DHODH 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.