SCHEMBL125905

SCHEMBL125905

COc1ccc(-c2nc3cc(CO)ccc3[nH]2)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ SI P14410 2/20 0.53
▸ MGAM2 Q2M2H8 2/20 0.53
▸ CBFB Q13951 4/20 0.53
▸ AMY1A P0DUB6 5/20 0.48
▸ F2 P00734 1/20 0.46
▸ F10 P00742 1/20 0.46
▸ PLG P00747 1/20 0.46
▸ PLAU P00749 1/20 0.46
▸ PLAT P00750 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ SLC2A1 P11166 1/20 0.44
▸ ADORA2A P29274 1/20 0.43
▸ ADORA2B P29275 1/20 0.43
▸ GUSB P08236 1/20 0.43
▸ GRK6 P43250 1/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41

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
SCHEMBL179162 0.88 MGAM (0.61) MGAMGAASIMGAM2AMY1A
SCHEMBL124239 0.83 F2 (0.52) MGAMGAASIMGAM2CBFB
SCHEMBL31429762 0.80 GAA (0.66) MGAMGAASIMGAM2AMY1A
SCHEMBL15779786 0.80 CBFB (0.53) CBFBSLC2A1NPC1KDM4EALDH1A1
SCHEMBL19205885 0.79 GUSB (0.55) MGAMGAASIMGAM2AMY1A
SCHEMBL125632 0.79 CBFB (0.82) CBFBSLC2A1NPC1KDM4ERAB9A
SCHEMBL126324 0.79 CBFB (0.82) CBFBSLC2A1NPC1KDM4EALDH1A1
SCHEMBL7278247 0.77 MGAM (0.55) MGAMGAASIMGAM2AMY1A
SCHEMBL10746410 0.77 PDE2A (0.52) MGAMGAASIMGAM2AMY1A
SCHEMBL10739533 0.76 MGAM (0.57) MGAMGAASIMGAM2AMY1A

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-9926290-B2 Inhibitors of INV(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-03-27 — — US disclosed
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2016-04-07 — — US disclosed
US-9221764-B2 Inhibitors of inv(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-12-29 — — US disclosed
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-08-28 — — US disclosed
US-8748618-B2 Inhibitors of inv(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-06-10 — — US disclosed
US-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-03-08 — — 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-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB MGAM 2730/4885GAA 4268/4885SI 2384/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB MGAM 2694/4885GAA 4210/4885SI 2361/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB MGAM 2694/4885GAA 4210/4885SI 2361/4885

“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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