SCHEMBL14325524

SCHEMBL14325524

CCC(=O)C(CS)NC(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL22969053 0.83 — —
SCHEMBL19369992 0.80 TGFBR1 (0.33) —
SCHEMBL22215865 0.78 — —
SCHEMBL20445378 0.78 ALDH1A1 (0.42) MAPT
SCHEMBL21690505 0.78 HDAC7 (0.35) NFKB1
SCHEMBL24420991 0.78 ALDH1A1 (0.42) MAPT
SCHEMBL24421009 0.78 ALDH1A1 (0.42) MAPT
SCHEMBL17708242 0.77 — —
SCHEMBL17524631 0.77 KDM4E (0.45) ACEKDM4EMAPTTHRBALOX15
SCHEMBL1058215 0.77 KDM4E (0.56) ACEKDM4EMAPTTHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120322725-A1 GLUCAGON ANTAGONIST-GIP AGONIST CONJUGATES AND COMPOSITIONS FOR THE TREATMENT OF METABOLIC DISORDERS AND OBESITY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2012-12-20 — — 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-20120322725-A1 GLUCAGON ANTAGONIST-GIP AGONIST CONJUGATES AND COMPOSITIONS FOR THE TREATMENT OF METABOLIC DISORDERS AND OBESITY GLP1R, GIPR, GCG ACE 2198/4885KDM4E 1764/4885MAPT 4292/4885

“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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