Sugi Predict

Sugi Predict / Compounds / SCHEMBL5100754

SCHEMBL5100754

SCHEMBL5100754

O=C(N=C(NC(=O)OCc1ccccc1)N(CC=Cc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ MIF P14174 1/20 0.39
▸ CA12 O43570 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ AKR1B10 O60218 1/20 0.37
▸ AKR1B1 P15121 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ CA5B Q9Y2D0 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL5100745 1.00 LMNA (0.41) LMNAMIFCA12CA9AKR1B10
SCHEMBL6254655 1.00 LMNA (0.41) LMNAMIFCA12CA9AKR1B10
SCHEMBL5107181 0.79 SMN1; SMN2 (0.43) LMNAMIFCA12CA9SMN1; SMN2
SCHEMBL7599382 0.77 NPC1 (0.43) LMNAMIFCA12CA9SMN1; SMN2
SCHEMBL5094224 0.73 LMNA (0.38) LMNACA12CA9AKR1B10AKR1B1
SCHEMBL5097623 0.71 LMNA (0.50) LMNAMIFCA12CA9SMN1; SMN2
SCHEMBL15184648 0.69 ALDH1A1 (0.53) LMNAMIFCA12CA9SMN1; SMN2
SCHEMBL8363864 0.69 ALDH1A1 (0.53) LMNAMIFCA12CA9SMN1; SMN2
SCHEMBL8811364 0.69 LMNA (0.48) LMNAMIFCA12CA9SMN1; SMN2
SCHEMBL12294698 0.69 BACE1 (0.51) LMNAMIFCA12CA9SMN1; SMN2

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-7368605-B2 Variously substituted derivatives of guanidine, and their use as medicines with anti-diabetes and/or anti-obesity activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-05-06 — — US disclosed
US-20060069100-A1 Variously substituted derivatives of guanidine, and their use as medicines with anti-diabetes and/or anti-obesity activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-03-30 — — US disclosed
EP-1575912-A1 VARIOUSLY SUBSTITUTED DERIVATIVES OF GUANIDINE, AND THEIR USE AS MEDICINES WITH ANTI-DIABETES AND/OR ANTI-OBESITY ACTIVITY SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2005-09-21 — — EP disclosed
WO-2004054967-A1 VARIOUSLY SUBSTITUTED DERIVATIVES OF GUANIDINE, AND THEIR USE AS MEDICINES WITH ANTI-DIABETES AND/OR ANTI-OBESITY ACTIVITY SIGMA TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-07-01 — — 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 (1 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-20060069100-A1 Variously substituted derivatives of guanidine, and their use as medicines with anti-diabetes and/or anti-obesity activity GCKR, GPR119, GCG LMNA 502/4885MIF 803/4885CA12 4862/4885

“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.