SCHEMBL2623710

SCHEMBL2623710

CC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 7/20 0.60
▸ NAALAD2 Q9Y3Q0 2/20 0.60
▸ RIMKLA Q8IXN7 1/20 0.60
▸ NOD1 Q9Y239 2/20 0.54
▸ GNPAT O15228 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ THPO P40225 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ GGH Q92820 1/20 0.47

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
SCHEMBL25874926 1.00 FOLH1 (0.60) FOLH1NAALAD2RIMKLANOD1GNPAT
SCHEMBL15958206 1.00 FOLH1 (0.60) FOLH1NAALAD2RIMKLANOD1GNPAT
SCHEMBL19718595 1.00 FOLH1 (0.60) FOLH1NAALAD2RIMKLANOD1GNPAT
SCHEMBL18082026 1.00 FOLH1 (0.60) FOLH1NAALAD2RIMKLANOD1GNPAT
SCHEMBL18272425 1.00 FOLH1 (0.60) FOLH1NAALAD2RIMKLANOD1GNPAT
Aceglumate SCHEMBL198970 0.92 FOLH1 (0.69) FOLH1NAALAD2RIMKLAGNPATKDM4E
Acetylglutamic Acid SCHEMBL716411 0.92 FOLH1 (0.69) FOLH1NAALAD2RIMKLAGNPATKDM4E
Acetylglutamic Acid SCHEMBL82128 0.92 FOLH1 (0.69) FOLH1NAALAD2RIMKLAGNPATKDM4E
Acetylglutamic Acid SCHEMBL2512801 0.92 FOLH1 (0.69) FOLH1NAALAD2RIMKLAGNPATKDM4E
Aceglumate SCHEMBL11403040 0.90 FOLH1 (0.67) FOLH1NAALAD2RIMKLAGNPATKDM4E

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
US-8772226-B2 Methods and compositions for the detection of cancer THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-08 — — US disclosed
US-8772226-B2 Methods and compositions for the detection of cancer THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-08 — — US disclosed
US-20120093724-A1 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-19 — — US disclosed
US-20120093724-A1 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-19 — — 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-20120093724-A1 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER KLK3, KLK2, KLK5 FOLH1 8/4885NAALAD2 178/4885RIMKLA 2942/4885

“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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