SCHEMBL22731801

SCHEMBL22731801

NCC(=O)N[C@@H](C=O)CCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 2/20 0.39
▸ FOLH1 Q04609 5/20 0.37
▸ RIMKLA Q8IXN7 1/20 0.37
▸ NAALAD2 Q9Y3Q0 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GABRP O00591 2/20 0.36
▸ GABRD O14764 2/20 0.36
▸ GABRA1 P14867 2/20 0.36
▸ GABRB1 P18505 2/20 0.36
▸ GABRG2 P18507 2/20 0.36
▸ GABRB3 P28472 2/20 0.36

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
SCHEMBL29768848 1.00 CTSC (0.39) CTSCFOLH1RIMKLANAALAD2SLC6A2
SCHEMBL16181956 1.00 CTSC (0.39) CTSCFOLH1RIMKLANAALAD2SLC6A2
SCHEMBL17986594 0.87 FOLH1 (0.39) CTSCFOLH1RIMKLANAALAD2SLC6A2
SCHEMBL26429408 0.85 ALOX15 (0.35) BLMKMT2A
SCHEMBL26429181 0.85 ALOX15 (0.35) BLMKMT2A
SCHEMBL22731832 0.84 GLO1 (0.39) FOLH1RIMKLANAALAD2
SCHEMBL19696601 0.84 GLO1 (0.39) FOLH1RIMKLANAALAD2
SCHEMBL29140277 0.84 ALOX15 (0.34) BLMKMT2A
SCHEMBL24486692 0.81 PLA2G2C (0.42) FOLH1RIMKLANAALAD2TSHRNFKB1
SCHEMBL173035 0.81 PLA2G2C (0.42) FOLH1RIMKLANAALAD2TSHRNFKB1

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-20200376013-A1 SELECTIVE DRUG DELIVERY COMPOSITIONS AND METHODS OF USE AVELAS BIOSCIENCES, INC. 2020-12-03 — — 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-20200376013-A1 SELECTIVE DRUG DELIVERY COMPOSITIONS AND METHODS OF USE ABCG2, CD44, PITRM1 CTSC 377/4885FOLH1 23/4885RIMKLA 2108/4885

“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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