SCHEMBL14090974

SCHEMBL14090974

CC(C)(C)OC(=O)Nc1cccc([C@@H](CO)NC(=O)OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 5/20 0.56
▸ PPARG P37231 2/20 0.53
▸ SYK P43405 1/20 0.51
▸ MGLL Q99685 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ALOX12 P18054 1/20 0.48
▸ PTPN7 P35236 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ OPRK1 P41145 1/20 0.48

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
SCHEMBL4986287 0.86 IDO1 (0.46) BACE1LMNAMAPT
SCHEMBL16763522 0.83 MGLL (0.55) BACE1PPARGSYKMGLLMEN1
SCHEMBL16763519 0.83 MGLL (0.55) BACE1PPARGSYKMGLLMEN1
SCHEMBL6549737 0.82 PPARG (0.59) BACE1PPARGSYKMGLL
SCHEMBL6548418 0.82 PPARG (0.62) BACE1PPARGSYKMGLL
SCHEMBL6548407 0.82 PPARG (0.62) BACE1PPARGSYKMGLL
SCHEMBL7021124 0.82 MAPT (0.55) BACE1SYKLMNAMAPTHTT
SCHEMBL7021126 0.82 MAPT (0.55) BACE1SYKLMNAMAPTHTT
SCHEMBL27983817 0.81 KMT2A (0.51) MEN1KMT2ASMN1; SMN2
SCHEMBL2367199 0.80 ITGB3 (0.60) BACE1SYKMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 — — 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 (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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 BACE1 1614/4885PPARG 2064/4885SYK 889/4885

“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.

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