SCHEMBL6372172

SCHEMBL6372172

CN(C(=O)OCc1ccccc1)[C@@H](CCCCO)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 4/20 0.55
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ ABCB1 P08183 2/20 0.46
▸ CTSK P43235 2/20 0.44
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ CCR6 P51684 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ EPOR P19235 1/20 0.40

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
SCHEMBL6372179 1.00 FOLH1 (0.55) FOLH1ITGB3ITGA2BABCB1CTSK
SCHEMBL6371514 0.92 FOLH1 (0.47) FOLH1ITGB3ITGA2BABCB1CTSK
SCHEMBL25186538 0.90 FOLH1 (0.55) FOLH1ITGB3ITGA2BABCB1CTSK
SCHEMBL25177906 0.88 FOLH1 (0.54) FOLH1ITGB3ITGA2BABCB1CTSK
SCHEMBL12504602 0.88 FOLH1 (0.54) FOLH1ITGB3ITGA2BABCB1CTSK
SCHEMBL16446175 0.88 FOLH1 (0.53) FOLH1ITGB3ITGA2BABCB1CTSK
SCHEMBL11306029 0.88 FOLH1 (0.49) FOLH1ITGB3ITGA2BABCB1CTSK
SCHEMBL5219171 0.86 FOLH1 (0.52) FOLH1ITGB3ITGA2BABCB1CTSK
SCHEMBL5219182 0.86 FOLH1 (0.52) FOLH1ITGB3ITGA2BABCB1CTSK
SCHEMBL18379807 0.86 ABCB1 (0.51) FOLH1ITGB3ITGA2BABCB1CTSK

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-20050245432-A1 N-methyl amino acids UBIQUITOUS TECHNOLOGIES PTY. LTD. (AU) 2005-11-03 — — 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-20050245432-A1 N-methyl amino acids VIP, NPPA, PTMS FOLH1 295/4885ITGB3 3285/4885ITGA2B 2811/4885

“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.

Send feedback