SCHEMBL6413425

SCHEMBL6413425

CCCC[C@@H](CC)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ CA1 P00915 3/20 0.53
▸ FOLH1 Q04609 6/20 0.51
▸ NAALAD2 Q9Y3Q0 2/20 0.51
▸ RIMKLA Q8IXN7 1/20 0.51
▸ NOD1 Q9Y239 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ BMP1 P13497 1/20 0.44
▸ PLA2G2C Q5R387 1/20 0.44

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
SCHEMBL619960 1.00 CA2 (0.53) CA2MAPK1CA1FOLH1NAALAD2
SCHEMBL1636628 1.00 CA2 (0.53) CA2MAPK1CA1FOLH1NAALAD2
SCHEMBL6413427 1.00 CA2 (0.53) CA2MAPK1CA1FOLH1NAALAD2
SCHEMBL936053 0.89 NOD1 (0.54) FOLH1NAALAD2RIMKLANOD1PLA2G2C
SCHEMBL27625153 0.89 FOLH1 (0.60) FOLH1NAALAD2RIMKLABMP1
SCHEMBL26352059 0.88 FOLH1 (0.57) CA2CA1FOLH1NAALAD2RIMKLA
SCHEMBL9981032 0.88 NOD1 (0.55) FOLH1NAALAD2RIMKLANOD1
SCHEMBL29849120 0.85 USP2 (0.50) CA2MAPK1CA1BMP1PLA2G2C
SCHEMBL16240658 0.84 LMNA (0.56) CA2CA1MEN1KMT2A
SCHEMBL16240312 0.84 TDP1 (0.47) CA2MAPK1CA1BMP1

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-20050208085-A1 Gelling agent AJINOMOTO CO. INC (JP) 2005-09-22 — — 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-20050208085-A1 Gelling agent ARGLU1, DGKA, GLRA1 CA2 2229/4885MAPK1 1864/4885CA1 990/4885

“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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