SCHEMBL17322650

SCHEMBL17322650

CC(=O)N[C@@H](CC(C)(C)S)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ THPO P40225 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL13651866 0.88 KDM4E (0.42) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13651867 0.86 MAPT (0.59) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL17322598 0.86 MAPT (0.59) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL18472607 0.83 KDM4E (0.43) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL16841994 0.83 KDM4E (0.43) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13651864 0.75 CTRB1 (0.43) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9962914 0.73 KDM4E (0.71) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13295204 0.73 KDM4E (0.71) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL20844329 0.72 KDM4E (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL16708422 0.71 KDM4E (0.41) 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-20180155289-A1 MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-06-07 — — US disclosed
US-20170334853-A1 MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-11-23 — — US disclosed
US-20150353492-A1 MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-12-10 — — 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-20150353492-A1 MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS AND USES THEREOF TST, TXN, TXNRD2 KDM4E 4182/4885MAPT 3339/4885THRB 1767/4885
US-20180155289-A1 MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS AND USES THEREOF TST, TXN, TXNRD2 KDM4E 4182/4885MAPT 3339/4885THRB 1767/4885
US-20170334853-A1 MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS AND USES THEREOF TST, TXN, TXNRD2 KDM4E 4182/4885MAPT 3339/4885THRB 1767/4885

“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