SCHEMBL12983544

SCHEMBL12983544

CCNC(=O)CCC(NC(C)=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 3/20 0.50
▸ 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
▸ MMP2 P08253 2/20 0.47
▸ MMP9 P14780 2/20 0.47
▸ FOLH1 Q04609 4/20 0.46
▸ NAALAD2 Q9Y3Q0 2/20 0.46
▸ RIMKLA Q8IXN7 1/20 0.46
▸ ALB P02768 2/20 0.45
▸ GNPAT O15228 1/20 0.42
▸ FAAH O00519 1/20 0.41

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
SCHEMBL29362117 1.00 NOD1 (0.50) NOD1KDM4EMAPTTHRBALOX15
SCHEMBL16620664 0.84 NOD1 (0.61) NOD1MMP2MMP9FOLH1NAALAD2
SCHEMBL15958209 0.84 NOD1 (0.61) NOD1KDM4EMAPTTHRBALOX15
SCHEMBL13226111 0.83 MAPT (0.52) NOD1KDM4EMAPTTHRBALOX15
SCHEMBL24978634 0.83 MAPT (0.52) NOD1KDM4EMAPTTHRBALOX15
SCHEMBL24978653 0.83 MAPT (0.52) NOD1KDM4EMAPTTHRBALOX15
SCHEMBL24978671 0.83 MAPT (0.52) NOD1KDM4EMAPTTHRBALOX15
SCHEMBL15942692 0.83 MAPT (0.52) NOD1KDM4EMAPTTHRBALOX15
SCHEMBL17040489 0.83 NOD1 (0.49) NOD1KDM4EMAPTTHRBALOX15
SCHEMBL16620949 0.82 NOD1 (0.47) NOD1ALDH1A1MMP2MMP9FOLH1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9011880-B2 Compounds and methods for treating cancer IGF ONCOLOGY, LLC (US) 2015-04-21 — — US disclosed
US-20140171366-A9 Compounds and methods for treating cancer IGF ONCOLOGY, LLC 2014-06-19 — — US disclosed
US-8501906-B2 Compounds and methods for treating cancer IGF ONCOLOGY, LLC (US) 2013-08-06 — — US disclosed
US-20100303929-A1 Compounds and methods for treating cancer IGF ONCOLOGY, LLC 2010-12-02 — — US disclosed
US-7811982-B2 Compounds and methods for treating cancer IGF ONCOLOGY, LLC (US) 2010-10-12 — — US disclosed
US-20100216696-A1 Compounds and methods for treating cancer MCTAVISH HUGH 2010-08-26 — — 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 (3 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-20100216696-A1 Compounds and methods for treating cancer IGF1R, IGFBP1, INSR NOD1 4193/4885KDM4E 4244/4885MAPT 4649/4885
US-20140171366-A9 Compounds and methods for treating cancer IGF1R, IGFBP1, INSR NOD1 4193/4885KDM4E 4244/4885MAPT 4649/4885
US-20100303929-A1 Compounds and methods for treating cancer IGF1R, IGFBP1, INSR NOD1 4193/4885KDM4E 4244/4885MAPT 4649/4885

“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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