SCHEMBL5182157

SCHEMBL5182157

CC(C)(C)OC(=O)NCCSSCCCN

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
CA1 P00915 8/20 0.42
CA2 P00918 8/20 0.42
CA12 O43570 7/20 0.42
CA9 Q16790 7/20 0.42
HTT P42858 1/20 0.42
EPHX1 P07099 1/20 0.39
IDO1 P14902 2/20 0.39
BCHE P06276 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MALT1 Q9UDY8 1/20 0.37

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
SCHEMBL1584489 0.90 TDP1 (0.49) TDP1MAOAMAOBMEN1KMT2A
Hydrochloric Acid SCHEMBL3193200 0.89 TDP1 (0.47) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL1082707 0.88 TDP1 (0.56) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL14646691 0.85 TDP1 (0.51) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL21929480 0.84 TDP1 (0.62) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL15684647 0.84 TDP1 (0.44) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL15295810 0.84 TDP1 (0.50) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL903284 0.84 TDP1 (0.50) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL21929478 0.83 TDP1 (0.66) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL14485 0.83 TDP1 (0.65) TDP1MAOAMAOBMEN1KMT2A

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
US-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 US disclosed
US-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 US disclosed
EP-1670422-A4 IDENTIFICATION OF KINASE INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2007-08-01 EP disclosed
EP-1670422-A2 IDENTIFICATION OF KINASE INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2006-06-21 EP disclosed
WO-2005034840-A2 IDENTIFICATION OF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2005-04-21 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-20120077711-A1 Novel Ligands and Libraries of Ligands LSS, ABCG2, SELL TDP1 4554/4885MAOA 1072/4885MAOB 963/4885

“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.