Sugi Predict

Sugi Predict / Compounds / SCHEMBL3931335

SCHEMBL3931335

SCHEMBL3931335

CC1(C)OB(c2cc(OCc3ccccc3)cc(-c3ncccc3N)c2)OC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.50
▸ LTA4H P09960 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ LIPG Q9Y5X9 3/20 0.36
▸ LPL P06858 2/20 0.36
▸ IGF1R P08069 1/20 0.35
▸ MAOB P27338 2/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ GSTP1 P09211 1/20 0.33

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
SCHEMBL30345297 0.80 DGAT1 (0.54) DGAT1LIPGLPLMAOBMAPT
SCHEMBL16337257 0.80 DGAT1 (0.54) DGAT1LIPGLPLMAOBMAPT
SCHEMBL15554329 0.75 DGAT1 (0.54) DGAT1LIPGLPLMAOB
SCHEMBL3619300 0.73 DGAT1 (0.57) DGAT1LIPGLPLMAOBMAOA
SCHEMBL3931327 0.73 DGAT1 (0.50) DGAT1RAB9A
SCHEMBL28414688 0.73 GAA (0.56) LTA4HMAPK14CYP3A4IGF1RMAOB
SCHEMBL13536239 0.73 DGAT1 (0.60) DGAT1LIPGLPLMAOBPDGFRB
SCHEMBL31240669 0.73 DGAT1 (0.60) DGAT1LIPGLPLMAOBPDGFRB
SCHEMBL22467542 0.72 DGAT1 (0.54) DGAT1LIPGLPLMAOBMAPT
SCHEMBL18241408 0.72 DGAT1 (0.51) DGAT1LIPGLPLMAOBMAOA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 — — US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 — — US disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 — — US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 — — WO disclosed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 — — 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 (3 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-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 DGAT1 4110/4885LTA4H 2848/4885MAPK14 4350/4885
US-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 DGAT1 4003/4885LTA4H 2833/4885MAPK14 4350/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 DGAT1 3611/4885LTA4H 2705/4885MAPK14 3831/4885

“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.