SCHEMBL19090986

SCHEMBL19090986

CCC(CC)NC(=O)[C@@H](N)CC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ DPP9 Q86TI2 7/20 0.39
▸ DPP8 Q6V1X1 6/20 0.39
▸ DPP4 P27487 5/20 0.39
▸ DPP7 Q9UHL4 6/20 0.38
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ECE1 P42892 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ PDCD1LG2 Q9BQ51 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ CTSC P53634 1/20 0.33
▸ TLR2 O60603 1/20 0.32
▸ PKM P14618 1/20 0.32

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
SCHEMBL27347109 0.81 ECE1 (0.44) DPP9DPP8DPP4DPP7ECE1
SCHEMBL16327076 0.80 SLC7A5 (0.48) CA12CA1CA2MMP1MMP2
SCHEMBL15958714 0.80 SLC7A5 (0.48) CA12CA1CA2MMP1MMP2
SCHEMBL10888528 0.79 DPP4 (0.44) CA12CA1CA2MMP1MMP2
SCHEMBL10891150 0.79 DPP4 (0.44) CA12CA1CA2MMP1MMP2
SCHEMBL31447508 0.76 DPP4 (0.42) CA12CA1CA2CA9DPP9
SCHEMBL30799694 0.76 DPP4 (0.42) CA12CA1CA2CA9DPP9
SCHEMBL29382432 0.75 ALDH1A1 (0.51) CA1CA2PDCD1LG2CD274
SCHEMBL12257906 0.75 DPP7 (0.40) CA12CA1CA2MMP1MMP2
SCHEMBL1978274 0.75 DPP7 (0.40) CA12CA1CA2MMP1MMP2

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-20190135847-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-09 — — US disclosed
US-10246478-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2019-04-02 — — US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 — — 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 (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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 CA12 3264/4885CA1 4858/4885CA2 4408/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 CA12 3264/4885CA1 4858/4885CA2 4408/4885
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 CA12 3264/4885CA1 4858/4885CA2 4408/4885

“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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