SCHEMBL5785397

SCHEMBL5785397

COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 4/20 0.47
MGLL Q99685 2/20 0.43
FAAH O00519 1/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 1/20 0.42
TACR3 P29371 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
CASP3 P42574 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL12772940 0.89 NPC1 (0.51) NPC1RAB9AMGLLFAAHMAOB
SCHEMBL2116996 0.86 NPC1 (0.48) NPC1RAB9AKMT2AMGLLFAAH
SCHEMBL20132624 0.85 MEN1 (0.62) KMT2AMEN1LMNAALDH1A1HDAC1
SCHEMBL31480254 0.84 NPC1 (0.46) NPC1RAB9AKMT2AMGLLMAOB
SCHEMBL16907820 0.84 HTT (0.52) ALDH1A1HTTHIF1A
SCHEMBL20132625 0.84 GAA (0.48) NPC1RAB9AKMT2AFAAHMAOB
SCHEMBL18250070 0.83 HPGD (0.56) RAB9AKMT2AMEN1LMNALIPG
SCHEMBL2073317 0.81 HIF1A (0.46) NPC1RAB9ALMNAALDH1A1HTT
SCHEMBL4823829 0.81 POLB (0.54) NPC1RAB9AMGLLMAOBCA1
SCHEMBL397013 0.81 NPC1 (0.45) NPC1RAB9AKMT2AMGLLFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
EP-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 US disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 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-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 NPC1 991/4885RAB9A 975/4885KMT2A 3670/4885

“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.