SCHEMBL1162846

SCHEMBL1162846

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nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.41
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
MME P08473 3/20 0.34
CYP2D6 P10635 1/20 0.34
PTPRC P08575 2/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PPARA Q07869 2/20 0.33
PPARG P37231 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL12805714 1.00 TGFBR1 (0.41) TGFBR1MEN1GAAKMT2AMME
SCHEMBL4096308 0.86 CTSK (0.42) MEN1GAAKMT2ACYP2D6PTPRC
SCHEMBL1162877 0.86 CTSK (0.42) MEN1GAAKMT2ACYP2D6PTPRC
SCHEMBL4971083 0.86 CTSK (0.42) MEN1GAAKMT2ACYP2D6PTPRC
SCHEMBL8751934 0.84 CYP2D6 (0.36) MEN1GAAKMT2ACYP2D6PTPRC
SCHEMBL21877890 0.84 GRN (0.38) TGFBR1MEN1GAAKMT2ACYP2D6
SCHEMBL18248134 0.84 CTSK (0.46) MEN1GAAKMT2ACYP2D6PTPRC
SCHEMBL21877891 0.84 GRN (0.38) TGFBR1MEN1GAAKMT2ACYP2D6
SCHEMBL2586168 0.84 MEN1 (0.36) MEN1GAAKMT2ACYP2D6PTPRC
SCHEMBL1162906 0.84 MEN1 (0.36) MEN1GAAKMT2ACYP2D6PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464321-B1 PROTEASOME INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-01-25 EP disclosed
US-11345724-B2 Proteasome inhibitors MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2022-05-31 US disclosed
US-20200325171-A1 PROTEASOME INHIBITORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-10-15 US disclosed
EP-3464321-A1 PROTEASOME INHIBITORS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2019-04-10 EP disclosed
WO-2017211818-A1 PROTEASOME INHIBITORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-12-14 WO disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
EP-2513066-A1 SPHINGOSINE KINASE INHIBITORS Merck Patent GmbH (DE) 2012-10-24 EP disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
WO-2011082732-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-07-14 WO disclosed
WO-2011016576-A1 ALANINE DERIVATIVES AS INHIBITORS OF APOPTOSIS PROTEINS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 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 (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-20200325171-A1 PROTEASOME INHIBITORS PSMB1, PSMB2, PSMB5 TGFBR1 586/4885MEN1 2770/4885GAA 869/4885
US-11345724-B2 Proteasome inhibitors PSMB1, PSMB2, PSMB5 TGFBR1 583/4885MEN1 3000/4885GAA 774/4885
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, S1PR3, SPHK2 TGFBR1 2608/4885MEN1 380/4885GAA 1704/4885

“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.