SCHEMBL15033316

SCHEMBL15033316

CN[C@@H](CS)C(=O)CSSCN[C@@H](CS)C(C)=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL16283377 0.85 KDM4E (0.38) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL16410985 0.81 — —
SCHEMBL16285287 0.79 MMP3 (0.33) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13034679 0.76 KDM4E (0.38) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL18216685 0.76 PTGS1 (0.36) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL20706151 0.73 KDM4E (0.36) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13233684 0.73 — —
SCHEMBL13227961 0.73 — —
SCHEMBL2614011 0.73 — —
SCHEMBL16451650 0.70 KDM4E (0.36) KDM4EMAPTTHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160303247-A1 Antibody-Drug Conjugates and Related Compounds, Compositions, and Methods IGENICA BIOTHERAPEUTICS, INC. (US) 2016-10-20 — — US disclosed
US-20130224228-A1 Antibody-Drug Conjugates and Related Compounds, Compositions, and Methods IGENICA, INC. (US) 2013-08-29 — — US disclosed
WO-2013085925-A1 ANTIBODY-DRUG CONJUGATES AND RELATED COMPOUNDS, COMPOSITIONS, AND METHODS IGENICA, INC. (US) 2013-06-13 — — WO 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 (2 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-20160303247-A1 Antibody-Drug Conjugates and Related Compounds, Compositions, and Methods SDCBP, CD81, NGLY1 KDM4E 1917/4885MAPT 1050/4885THRB 2403/4885
US-20130224228-A1 Antibody-Drug Conjugates and Related Compounds, Compositions, and Methods SDCBP, CD81, NGLY1 KDM4E 1917/4885MAPT 1050/4885THRB 2403/4885

“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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