Sugi Predict

Sugi Predict / Compounds / SCHEMBL161816

SCHEMBL161816

SCHEMBL161816

COC(=O)C12CC3CC(C1)CC(c1ncc(-c4ccc(NC(=O)Nc5cc(F)cc(F)c5)cc4)s1)(C3)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 7/20 0.47
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDR P35968 4/20 0.37
▸ FLT3 P36888 3/20 0.37
▸ AURKA O14965 2/20 0.37
▸ NTRK1 P04629 2/20 0.37
▸ DYRK3 O43781 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ RPS6KA5 O75582 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ INSR P06213 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ LYN P07948 1/20 0.37

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
SCHEMBL163047 0.90 DGAT1 (0.51) DGAT1CNR1KMT2AKDRIKBKB
SCHEMBL175829 0.89 DGAT1 (0.50) DGAT1LMNASMN1; SMN2KDRNTRK1
SCHEMBL162546 0.89 DGAT1 (0.49) DGAT1LMNASMN1; SMN2CNR1KMT2A
SCHEMBL175824 0.89 EPHX2 (0.40) DGAT1LMNASMN1; SMN2CNR1KMT2A
SCHEMBL162102 0.87 EPHX2 (0.52) DGAT1SMN1; SMN2CNR1KMT2AKDR
SCHEMBL161985 0.87 EPHX2 (0.41) DGAT1LMNASMN1; SMN2CNR1NTRK1
SCHEMBL161801 0.86 DGAT1 (0.50) DGAT1LMNASMN1; SMN2KMT2AKDR
SCHEMBL161249 0.86 DGAT1 (0.49) DGAT1LMNACNR1KMT2AKDR
SCHEMBL161926 0.81 CYP3A4 (0.39) DGAT1LMNASMN1; SMN2KMT2AIKBKB
SCHEMBL161219 0.80 DGAT1 (0.54) DGAT1LMNASMN1; SMN2KMT2AIKBKB

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
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 — — EP claimed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 — — US claimed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 — — WO claimed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 — — EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 — — US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 — — 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 DGAT1 1/4885LMNA 2076/4885SMN1; SMN2 2105/4885

“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.