SCHEMBL13063435

SCHEMBL13063435

COc1cc(C)c(SN(C)CC(=O)NCCNC(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.40
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
DYRK1A Q13627 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
PTGER4 P35408 1/20 0.35
MAPT P10636 1/20 0.35
MMP9 P14780 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.33
DRD2 P14416 1/20 0.33
IDO1 P14902 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
SCHEMBL13063434 0.82 MTNR1A (0.37) MTNR1AMTNR1BALDH1A1HPGD
SCHEMBL3449716 0.79 PKM (0.44) BRD4KDM4EMAPTMMP9CA12
SCHEMBL13063402 0.79 BRD4 (0.44) BRD4KDM4ENPC1RAB9ADYRK1A
SCHEMBL13063117 0.75 CYP3A4 (0.40) KDM4ERAB9AMAPTMTNR1AMTNR1B
SCHEMBL13063372 0.74 KEAP1 (0.41) KDM4EMAPTHPGD
SCHEMBL10118749 0.71 BRD4 (0.43) BRD4DYRK1AMALT1TDP1CA12
SCHEMBL3443102 0.70 BDKRB1 (0.46) BRD4
SCHEMBL22544945 0.70 TDP1 (0.50) MALT1TDP1CA12CA1CA2
SCHEMBL13063375 0.70 ATM (0.36) KDM4ERAB9AMAPTMTNR1AMTNR1B
SCHEMBL12046796 0.69 HTT (0.44) KDM4ETDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 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 (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-20090137545-A1 Compounds ADORA2B, ABCB11, CYP11B1 BRD4 2772/4885KDM4E 3277/4885NPC1 1159/4885

“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.