SCHEMBL15030000

SCHEMBL15030000

COCCOCCOCCOc1cccc(C2=N[C@@](C)(C(=O)OC)CS2)c1O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 7/20 0.35
BACE1 P56817 3/20 0.33
LMNA P02545 2/20 0.33
POLQ O75417 1/20 0.33
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NCF1 P14598 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL15047756 1.00 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2638022 0.94 KMT2A (0.35) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL12782269 0.91 MAPT (0.35) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL15047710 0.91 MAPT (0.35) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL1314947 0.91 KMT2A (0.37) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL11963290 0.91 KMT2A (0.37) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL1317324 0.91 KMT2A (0.37) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL1314942 0.91 KMT2A (0.37) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL11963399 0.91 KMT2A (0.37) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
Deferitazole SCHEMBL17209568 0.91 KMT2A (0.37) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E

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-20140323534-A1 USES OF 3'-DESFERRITHIOCIN ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-10-30 US disclosed
WO-2013090766-A1 USES OF 3'-DESFERRITHIOCIN ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-06-20 WO disclosed
WO-2013086312-A1 ORAL FORMULATIONS FOR TREATING METAL OVERLOAD FERROKIN BIOSCIENCES, INC. (US) 2013-06-13 WO 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-20140323534-A1 USES OF 3'-DESFERRITHIOCIN ANALOGS TFRC, AIFM2, FTH1 SMN1; SMN2 511/4885MEN1 1816/4885KMT2A 4672/4885

“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.