SCHEMBL8280997

SCHEMBL8280997

CNC(CCCCNC(=O)CCC(=O)O)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.48
▸ ADRA1A P35348 1/20 0.42
▸ SIRT5 Q9NXA8 2/20 0.41
▸ ALB P02768 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ EPHX2 P34913 3/20 0.39
▸ GNPAT O15228 1/20 0.39
▸ CASP2 P42575 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ KDM5C P41229 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ PHF8 Q9UPP1 1/20 0.38
▸ KDM2A Q9Y2K7 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ PRMT1 Q99873 1/20 0.37
▸ NAAA Q02083 1/20 0.37

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
SCHEMBL24709112 1.00 FOLH1 (0.48) FOLH1ADRA1ASIRT5ALBALDH1A1
SCHEMBL24483686 0.91 ADRA1A (0.51) FOLH1ADRA1ASIRT5ALBEPHX2
SCHEMBL24558633 0.91 ADRA1A (0.51) FOLH1ADRA1ASIRT5ALBEPHX2
SCHEMBL25358474 0.89 FOLH1 (0.52) FOLH1ALBALDH1A1EPHX2GNPAT
SCHEMBL25358482 0.89 FOLH1 (0.52) FOLH1ALBALDH1A1EPHX2GNPAT
SCHEMBL19646650 0.89 FOLH1 (0.44) FOLH1ALBALDH1A1CASP2KDM4E
SCHEMBL21964560 0.89 FOLH1 (0.44) FOLH1ALBALDH1A1CASP2KDM4E
SCHEMBL16174166 0.86 CASP2 (0.56) FOLH1ALBCASP2TSHRNAAA
SCHEMBL19862677 0.84 HDAC3 (0.40) FOLH1SIRT5ALBALDH1A1CASP2
SCHEMBL16234099 0.84 FOLH1 (0.46) FOLH1ADRA1ASIRT5ALBEPHX2

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-20140335550-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY THE BROAD INSTITUTE, INC. (US) 2014-11-13 — — US disclosed
US-20140220556-A1 Method of Design and Synthesis of a New Drug MARTYNOV ARTUR (UA) 2014-08-07 — — US disclosed
US-20140220556-A1 Method of Design and Synthesis of a New Drug MARTYNOV ARTUR (UA) 2014-08-07 — — US disclosed
EP-2644617-A1 METHOD FOR THE MOLECULAR DESIGN AND SYNTHESIS OF THERAPEUTIC AND PREVENTIVE DRUGS Farber, Boris Slavinovich (RU) 2013-10-02 — — EP disclosed
US-20120130699-A1 Method of molecular design and synthesis of therapeutic and preventive drugs MARTYNOV ARTUR (UA) 2012-05-24 — — US disclosed
US-20120130699-A1 Method of molecular design and synthesis of therapeutic and preventive drugs MARTYNOV ARTUR (UA) 2012-05-24 — — 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-20140335550-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY MAN2B1, KDM1A, KDM3A FOLH1 525/4885ADRA1A 2968/4885SIRT5 1132/4885

“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.

Send feedback