SCHEMBL17540916

SCHEMBL17540916

O=C(OCCc1cccs1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.59
LMNA P02545 4/20 0.59
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
NPC1 O15118 6/20 0.50
RAB9A P51151 4/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 3/20 0.50
MEN1 O00255 2/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC6A2 P23975 1/20 0.46

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
SCHEMBL28873609 0.91 TDP1 (0.62) HPGDLMNATDP1ALDH1A1NFKB1
SCHEMBL7217776 0.83 HPGD (0.62) HPGDLMNATDP1ALDH1A1NFKB1
SCHEMBL28860065 0.83 NPC1 (0.54) HPGDLMNATDP1ALDH1A1NPC1
SCHEMBL22691765 0.81 SMN1; SMN2 (0.53) HPGDTDP1ALDH1A1NPC1RAB9A
SCHEMBL137486 0.80 TDP1 (0.83) LMNATDP1ALDH1A1NPC1RAB9A
SCHEMBL13292516 0.78 TDP1 (0.79) HPGDLMNATDP1ALDH1A1NPC1
SCHEMBL547137 0.78 TDP1 (0.79) HPGDLMNATDP1ALDH1A1NPC1
SCHEMBL28286830 0.78 TDP1 (0.79) LMNATDP1ALDH1A1NPC1RAB9A
SCHEMBL16217656 0.78 TDP1 (0.79) HPGDLMNATDP1ALDH1A1NPC1
SCHEMBL7658914 0.78 POLB (0.57) HPGDLMNATDP1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3186226-B1 OXIME SULFONATE DERIVATIVES BASF SE (DE) 2020-06-17 EP disclosed
US-20170260132-A1 OXIME SULFONATE DERIVATIVES BASF SE (DE) 2017-09-14 US disclosed
EP-3186226-A1 OXIME SULFONATE DERIVATIVES BASF SE (DE) 2017-07-05 EP disclosed
WO-2016030790-A1 OXIME SULFONATE DERIVATIVES BASF SE (DE) 2016-03-03 WO disclosed
CN-101610996-A Histone deacetylase inhibitors and prodrugs thereof METHYLGENE INC (CA) 2009-12-23 CN 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-20170260132-A1 OXIME SULFONATE DERIVATIVES CBR3, CBR1, C1R HPGD 1587/4885LMNA 2958/4885TDP1 3750/4885

“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.