SCHEMBL12282152

SCHEMBL12282152

CNS(=O)(=O)CCCNC(=O)OC(C)(C)C

nearest known ligand 0.91

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CA1 P00915 11/20 0.47
CA2 P00918 11/20 0.47
CA12 O43570 7/20 0.47
CA9 Q16790 7/20 0.47
EPHX1 P07099 1/20 0.40
HTT P42858 1/20 0.40
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39

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
SCHEMBL1654415 0.95 TDP1 (0.58) TDP1MEN1GAAKMT2AMAOA
SCHEMBL11924793 0.94 TDP1 (0.61) TDP1MEN1GAAKMT2AMAOA
SCHEMBL24297320 0.90 TDP1 (0.50) TDP1MEN1GAAKMT2AMAOA
SCHEMBL28301448 0.83 TDP1 (0.59) TDP1MEN1GAAKMT2AMAOA
SCHEMBL917886 0.83 TDP1 (0.64) TDP1MEN1GAAKMT2AMAOA
SCHEMBL22829019 0.81 TDP1 (0.57) TDP1MEN1GAAKMT2AMAOA
SCHEMBL5908856 0.81 TDP1 (0.57) TDP1MEN1GAAKMT2AMAOA
SCHEMBL28210550 0.80 TDP1 (0.70) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3020258 0.80 TDP1 (0.81) TDP1MEN1GAAKMT2AMAOA
SCHEMBL569251 0.80 TDP1 (0.74) TDP1MEN1GAAKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716293-B2 Macrocyclic integrase inhibitors JANSSEN R&D IRELAND (IE) 2014-05-06 US disclosed
EP-2552923-B1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R & D IRELAND (IE) 2014-03-26 EP disclosed
US-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R&D IRELAND (IE) 2013-02-07 US disclosed
WO-2011121105-A1 MACROCYCLIC INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-10-06 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-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS TYMP, PIM1, TYMS TDP1 83/4885MEN1 3444/4885GAA 429/4885

“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.