SCHEMBL17986594

SCHEMBL17986594

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 5/20 0.39
▸ BLM P54132 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ RIMKLA Q8IXN7 1/20 0.36
▸ NAALAD2 Q9Y3Q0 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GNPAT O15228 1/20 0.36
▸ GABRP O00591 3/20 0.35
▸ GABRD O14764 3/20 0.35
▸ GABRA1 P14867 3/20 0.35
▸ GABRB1 P18505 3/20 0.35
▸ GABRG2 P18507 3/20 0.35
▸ GABRB3 P28472 3/20 0.35

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
SCHEMBL22731801 0.87 CTSC (0.39) FOLH1BLMTSHRKMT2ACYP2D6
SCHEMBL29768848 0.87 CTSC (0.39) FOLH1BLMTSHRKMT2ACYP2D6
SCHEMBL16181956 0.87 CTSC (0.39) FOLH1BLMTSHRKMT2ACYP2D6
SCHEMBL24486692 0.84 PLA2G2C (0.42) FOLH1TSHRNFKB1RIMKLANAALAD2
SCHEMBL173035 0.84 PLA2G2C (0.42) FOLH1TSHRNFKB1RIMKLANAALAD2
SCHEMBL24798437 0.83 FOLH1 (0.33) FOLH1BLMTSHRKMT2ACYP2D6
SCHEMBL12664911 0.82 PLA2G2C (0.49) FOLH1TSHRKMT2ANFKB1MEN1
SCHEMBL12324725 0.82 PLA2G2C (0.45) FOLH1RIMKLANAALAD2GABRPGABRD
SCHEMBL12324731 0.80 PLA2G2C (0.39) FOLH1RIMKLANAALAD2GABRPGABRD
SCHEMBL3791704 0.79 LMNA (0.52) FOLH1BLMTSHRKMT2ACYP2D6

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-20160220707-A1 SELECTIVE DELIVERY MOLECULES AND METHODS OF USE AVELAS ACQUISITION CORPORATION 2016-08-04 — — 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 (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-20160220707-A1 SELECTIVE DELIVERY MOLECULES AND METHODS OF USE SLC7A1, SLC47A1, SLC47A2 FOLH1 51/4885BLM 4560/4885TSHR 1866/4885

“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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