SCHEMBL13077804

SCHEMBL13077804

O=C(CCCN1C(=O)C=CC1=O)NCCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 7/20 0.47
▸ PTGS2 P35354 7/20 0.47
▸ MGLL Q99685 4/20 0.47
▸ FAAH O00519 3/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ HTT P42858 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ TLR9 Q9NR96 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ XBP1 P17861 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ GPR35 Q9HC97 1/20 0.46

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
SCHEMBL6753087 0.92 PTGS1 (0.45) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL13113726 0.89 PTGS1 (0.55) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL12642012 0.86 PTGS1 (0.54) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL15216717 0.86 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL10283084 0.86 ALDH1A1 (0.59) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL15613431 0.84 PTGS1 (0.57) PTGS1PTGS2MGLLFAAHHPGD
SCHEMBL13881123 0.84 PTGS1 (0.45) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL21767306 0.84 PTGS1 (0.45) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL12107717 0.84 PTGS1 (0.51) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL4011321 0.83 PTGS1 (0.69) PTGS1PTGS2MGLLFAAHALDH1A1

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-20140161806-A1 IMMUNOGENIC SYNTHETIC GLYCOCONJUGATE FOR THE IMMUNOTHERAPY OF MELANOMA AZIENDA OSPEDALIERO-UNIVERSITARIA CAREGGI (Italian Hospital) (IT) 2014-06-12 — — US disclosed
US-8680043-B2 Synthetic immunogenic glycoconjugate for melanoma immunotherapy AZIENDA OSPEDALIERO-UNIVERSITARIA CAREGGI (IT) 2014-03-25 — — US disclosed
US-20120263735-A1 SYNTHETIC IMMUNOGENIC GLYCOCONJUGATE FOR MELANOMA IMMUNOTHERAPY AZIENDA OSPEDALIERO-UNIVERSITARIA CAREGGI (Italian Hospital) (IT) 2012-10-18 — — US disclosed
US-20100280098-A1 RECEPTOR TARGETED OLIGONUCLEOTIDES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-11-04 — — 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 (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-20140161806-A1 IMMUNOGENIC SYNTHETIC GLYCOCONJUGATE FOR THE IMMUNOTHERAPY OF MELANOMA CD47, CD4, CD14 PTGS1 3040/4885PTGS2 3035/4885MGLL 323/4885
US-20120263735-A1 SYNTHETIC IMMUNOGENIC GLYCOCONJUGATE FOR MELANOMA IMMUNOTHERAPY LGALS3, ST3GAL3, SIGLEC7 PTGS1 1310/4885PTGS2 1497/4885MGLL 463/4885

“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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