SCHEMBL3160972

SCHEMBL3160972

CC(C)(C)OC(=O)NCCOc1cc[c]cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.64
CA1 P00915 5/20 0.64
CA2 P00918 5/20 0.64
CA9 Q16790 5/20 0.64
PDK2 Q15119 1/20 0.49
IDO1 P14902 1/20 0.46
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
BCHE P06276 1/20 0.44
CNR2 P34972 1/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
SUCNR1 Q9BXA5 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
USP2 O75604 1/20 0.42

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
SCHEMBL3160188 0.96 CA12 (0.64) CA12CA1CA2CA9PDK2
SCHEMBL27801425 0.92 CA12 (0.65) CA12CA1CA2CA9POLB
SCHEMBL2202417 0.90 CA12 (0.66) CA12CA1CA2CA9SUCNR1
SCHEMBL17675706 0.85 CA12 (0.67) CA12CA1CA2CA9PDK2
SCHEMBL4001304 0.84 MTNR1A (0.53) CA12CA1CA2CA9MTNR1A
SCHEMBL10568289 0.84 CA12 (0.69) CA12CA1CA2CA9PDK2
SCHEMBL21601467 0.84 CA12 (0.69) CA12CA1CA2CA9PDK2
SCHEMBL13726564 0.84 CA12 (0.69) CA12CA1CA2CA9PDK2
SCHEMBL3161569 0.83 CA12 (0.55) CA12CA1CA2CA9PDK2
SCHEMBL13140981 0.83 CA12 (0.64) CA12CA1CA2CA9PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312318-A1 THERAPEUTIC COMPOUNDS AND METHODS GILEAD SCIENCES, INC. 2009-12-17 US claimed
EP-2069356-A1 BISFURANYL PROTEASE INHIBITORS Gilead Sciences, Inc. (US) 2009-06-17 EP claimed
US-20080070910-A1 Therapeutic compounds and methods GILEAD SCIENCES, INC. 2008-03-20 US claimed
WO-2008013834-A1 BISFURANYL PROTEASE INHIBITORS GILEAD SCIENCES, INC., (US) 2008-01-31 WO claimed
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 EP 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 CA12 4076/4885CA1 2191/4885CA2 1628/4885
US-20090312318-A1 THERAPEUTIC COMPOUNDS AND METHODS SERPINB1, ABCC1, SERPINB6 CA12 3227/4885CA1 1318/4885CA2 1996/4885
US-20080070910-A1 Therapeutic compounds and methods SERPINB1, ABCC1, SERPINB6 CA12 3227/4885CA1 1318/4885CA2 1996/4885

“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.