SCHEMBL124239

SCHEMBL124239

Cc1ccc(-c2nc3cc(CO)ccc3[nH]2)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.52
F10 P00742 3/20 0.52
PLG P00747 3/20 0.52
PLAU P00749 3/20 0.52
PRSS1 P07477 3/20 0.52
PLAT P00750 2/20 0.52
AMY1A P0DUB6 3/20 0.43
CBFB Q13951 4/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MAP2K4 P45985 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL125905 0.83 MGAM (0.53) F2F10PLGPLAUPRSS1
SCHEMBL12470344 0.80 AMY1A (0.57) F2F10PLGPLAUPRSS1
SCHEMBL17717642 0.79 F2 (0.61) F2F10PLGPLAUPRSS1
SCHEMBL124236 0.78 NPBWR1 (0.49) CBFBKDM4EALDH1A1MAPTMAP2K4
SCHEMBL125378 0.77 CBFB (0.58) CBFBKDM4EMAPTMAP2K4NPC1
SCHEMBL124413 0.77 CBFB (0.58) CBFBKDM4EMAPTMAP2K4NPC1
SCHEMBL15177874 0.77 F2 (0.61) F2F10PLGPLAUPRSS1
SCHEMBL889001 0.75 HSD17B10 (0.47) CBFBGAAKDM4EALDH1A1MAPT
SCHEMBL6646040 0.74 RAB9A (0.61) CBFBGAAKDM4EALDH1A1MAPT
SCHEMBL7388739 0.74 AMY1A (0.53) F2F10PLGPLAUPRSS1

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 F2 4004/4885F10 1670/4885PLG 2443/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB F2 4019/4885F10 1701/4885PLG 2395/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB F2 4019/4885F10 1701/4885PLG 2395/4885

“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.