SCHEMBL21085356

SCHEMBL21085356

CC(C)[C@H](N)Cc1nnc(N)s1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
POLB P06746 3/20 0.47
ALDH1A1 P00352 4/20 0.45
GLS O94925 2/20 0.42
F2 P00734 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.39
ATM Q13315 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
SCHEMBL21085394 1.00 HPGD (0.49) HPGDPOLBALDH1A1GLSF2
SCHEMBL21085393 1.00 HPGD (0.49) HPGDPOLBALDH1A1GLSF2
SCHEMBL10130895 0.81 HPGD (0.53) HPGDPOLBALDH1A1GLSF2
SCHEMBL10954825 0.78 HPGD (0.50) HPGDPOLBALDH1A1GLSF2
SCHEMBL11723966 0.78 HPGD (0.50) HPGDPOLBALDH1A1GLSF2
SCHEMBL21085352 0.76 ALDH1A1 (0.42) HPGDPOLBALDH1A1HSD17B10
SCHEMBL19859558 0.76 ALDH1A1 (0.42) HPGDPOLBALDH1A1HSD17B10
SCHEMBL19859560 0.76 ALDH1A1 (0.42) HPGDPOLBALDH1A1HSD17B10
SCHEMBL27875748 0.76 HPGD (0.45) HPGDPOLBALDH1A1GLSF2
SCHEMBL14977352 0.73 POLB (0.52) HPGDPOLBALDH1A1GLSF2

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-20190169181-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2019-06-06 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-20190169181-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, DNPEP, FOLH1 HPGD 769/4885POLB 1379/4885ALDH1A1 608/4885

“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.