SCHEMBL2623713

SCHEMBL2623713

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 8/20 0.54
▸ 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
▸ FOLH1 Q04609 4/20 0.46
▸ NAALAD2 Q9Y3Q0 2/20 0.46
▸ RIMKLA Q8IXN7 1/20 0.46
▸ GNPAT O15228 2/20 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
SCHEMBL15451406 1.00 NOD1 (0.54) NOD1KDM4EMAPTTHRBALOX15
SCHEMBL15451421 1.00 NOD1 (0.54) NOD1KDM4EMAPTTHRBALOX15
SCHEMBL14478726 1.00 NOD1 (0.54) NOD1KDM4EMAPTTHRBALOX15
SCHEMBL14478725 1.00 NOD1 (0.54) NOD1KDM4EMAPTTHRBALOX15
SCHEMBL15451404 1.00 NOD1 (0.54) NOD1KDM4EMAPTTHRBALOX15
SCHEMBL11885251 0.92 MAPT (0.57) NOD1KDM4EMAPTTHRBALOX15
SCHEMBL14557466 0.92 MAPT (0.57) NOD1KDM4EMAPTTHRBALOX15
SCHEMBL19718595 0.89 FOLH1 (0.60) NOD1KDM4EMAPTTHRBALOX15
SCHEMBL18082026 0.89 FOLH1 (0.60) NOD1KDM4EMAPTTHRBALOX15
SCHEMBL18272425 0.89 FOLH1 (0.60) NOD1KDM4EMAPTTHRBALOX15

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 2 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-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 NOD1 3174/4885KDM4E 943/4885MAPT 2813/4885

“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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