SCHEMBL5219171

SCHEMBL5219171

CC(=O)OCCCC[C@@H](C(=O)O)N(C)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ ITGB3 P05106 1/20 0.49
▸ ITGA2B P08514 1/20 0.49
▸ ABCB1 P08183 2/20 0.44
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL5219182 1.00 FOLH1 (0.52) FOLH1ALDH1A1ITGB3ITGA2BABCB1
SCHEMBL6372179 0.86 FOLH1 (0.55) FOLH1ALDH1A1ITGB3ITGA2BABCB1
SCHEMBL6372172 0.86 FOLH1 (0.55) FOLH1ALDH1A1ITGB3ITGA2BABCB1
SCHEMBL25186538 0.86 FOLH1 (0.55) FOLH1ALDH1A1ITGB3ITGA2BABCB1
SCHEMBL12504602 0.85 FOLH1 (0.54) FOLH1ALDH1A1ITGB3ITGA2BABCB1
SCHEMBL25177906 0.85 FOLH1 (0.54) FOLH1ALDH1A1ITGB3ITGA2BABCB1
SCHEMBL16446175 0.85 FOLH1 (0.53) FOLH1ALDH1A1ITGB3ITGA2BABCB1
SCHEMBL6379383 0.83 ALDH1A1 (0.57) FOLH1ALDH1A1ITGB3ITGA2BABCB1
SCHEMBL25178768 0.82 ABCB1 (0.50) FOLH1ALDH1A1ITGB3ITGA2BABCB1
SCHEMBL11306029 0.82 FOLH1 (0.49) FOLH1ALDH1A1ITGB3ITGA2BABCB1

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
EP-1575900-A4 N-METHYL AMINO ACIDS UBIQUITOUS TECHNOLOGIES PTY LT (AU) 2007-02-21 — — EP disclosed
US-20050245432-A1 N-methyl amino acids UBIQUITOUS TECHNOLOGIES PTY. LTD. (AU) 2005-11-03 — — US disclosed
EP-1575900-A1 N-METHYL AMINO ACIDS UBIQUITOUS TECHNOLOGIES PTY LTD (AU) 2005-09-21 — — EP disclosed
WO-2004007427-A1 N-METHYL AMINO ACIDS UBIQUITOUS TECHNOLOGIES PTY LTD (AU) 2004-01-22 — — 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-20050245432-A1 N-methyl amino acids VIP, NPPA, PTMS FOLH1 295/4885ALDH1A1 4663/4885ITGB3 3285/4885

“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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