SCHEMBL18756255

SCHEMBL18756255

COC(=O)[C@H](O)CNNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.41
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CYP2D6 P10635 1/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SYK P43405 1/20 0.35
SERPINE1 P05121 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
KLK5 Q9Y337 2/20 0.34
CTSK P43235 3/20 0.33
DGAT1 O75907 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6709616 0.83 CA12 (0.44) APLNRCA12CA14CA2CA1
SCHEMBL7403514 0.82 MEN1 (0.45) APLNRCA12CA14CA2CA1
SCHEMBL14015716 0.82 MEN1 (0.45) APLNRCA12CA14CA2CA1
SCHEMBL14155384 0.82 MEN1 (0.45) APLNRCA12CA14CA2CA1
SCHEMBL6709591 0.80 CA1 (0.46) APLNRCA12CA14CA2CA1
SCHEMBL2671597 0.78 APLNR (0.46) APLNRCA12CA14CA2CA1
SCHEMBL2197146 0.77 APLNR (0.42) APLNRCA2CA1CA7CYP2D6
SCHEMBL5325084 0.77 APLNR (0.42) APLNRCA12CA14CA2CA1
SCHEMBL2194505 0.77 APLNR (0.42) APLNRCA2CA1CA7CYP2D6
SCHEMBL19091350 0.77 APLNR (0.42) APLNRCA2CA1CA7CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696707-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2020-06-30 US disclosed
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
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
EP-3156410-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-04-19 EP 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 (4 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 APLNR 3591/4885CA12 3264/4885CA14 2571/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 APLNR 3591/4885CA12 3264/4885CA14 2571/4885
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 APLNR 3591/4885CA12 3264/4885CA14 2571/4885
US-10696707-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 APLNR 3591/4885CA12 3264/4885CA14 2571/4885

“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.