SCHEMBL930036

SCHEMBL930036

CC(C)(C)N(CCNS(C)(=O)=O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.34
PTGES O14684 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL149146 0.89 POLB (0.38) KDM4DPTGESPOLBKMT2AALDH1A1
SCHEMBL5618639 0.88 POLB (0.37) PTGESPOLBALDH1A1
SCHEMBL17849000 0.78 MEN1 (0.37) KMT2A
SCHEMBL2721332 0.76 PRMT3 (0.37) KMT2A
SCHEMBL19210479 0.75 CYP2D6 (0.32) KMT2A
Hydrochloric Acid SCHEMBL837377 0.75 KDM4A (0.36) KMT2A
SCHEMBL1584053 0.75 POLB (0.32) POLBKMT2A
SCHEMBL2520169 0.74
SCHEMBL387476 0.74 SIGMAR1 (0.57) ALDH1A1
Hydrochloric Acid SCHEMBL26105931 0.73 ALOX15 (0.36) KMT2AALOX15

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-20110015225-A1 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-20 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-20110015225-A1 Heterocyclic compound MC1R, MCHR1, MCHR2 KDM4D 3798/4885PTGES 3931/4885POLB 4615/4885

“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.