SCHEMBL2157168

SCHEMBL2157168

CC(C)(C)N(C(=O)O)c1ccccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.37
LPL P06858 2/20 0.37
P4HB P07237 1/20 0.36
LIPE Q05469 8/20 0.34
F2 P00734 2/20 0.33
F11 P03951 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
CXCR2 P25025 2/20 0.32
DGAT1 O75907 1/20 0.30
UCHL1 P09936 1/20 0.30
PDGFRB P09619 1/20 0.30
KDR P35968 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL26101972 0.84 UCHL1 (0.33) LIPGLPLP4HBLIPEF2
SCHEMBL9995173 0.75 TSPO (0.42) LIPGLPLP4HBLIPECXCR2
SCHEMBL59027 0.74 F11 (0.39) LIPGLPLP4HBF2F11
SCHEMBL2136697 0.74 LIPG (0.46) LIPGLPLP4HBF2F11
SCHEMBL1675552 0.73 UCHL1 (0.34) F2F11PRSS1PRSS2PRSS3
SCHEMBL3766206 0.73 LIPE (0.32) LIPEF2F11PRSS1PRSS2
SCHEMBL58297 0.73 AAK1 (0.44) LIPGLPLP4HBF2F11
SCHEMBL59978 0.73 ROCK1 (0.42) LIPGLPLP4HBF2F11
SCHEMBL276100 0.73 CXCR2 (0.34) LIPGLPLLIPEF2F11
SCHEMBL9938876 0.73 UCHL1 (0.33) UCHL1MEN1KMT2A

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-8232390-B2 Pentacyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2012-07-31 US disclosed
WO-2011119565-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-09-29 WO disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
US-7973026-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-05 US disclosed
US-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-01-14 US disclosed
US-20090105227-A1 Thienopyrroles As Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-04-23 US disclosed
EP-1881989-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-01-30 EP disclosed
WO-2006119975-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-11-16 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 (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-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 LIPG 2855/4885LPL 2504/4885P4HB 4107/4885
US-20090105227-A1 Thienopyrroles As Antiviral Agents ZC3HAV1, HAVCR2, ZC3HAV1L LIPG 4480/4885LPL 3294/4885P4HB 2009/4885
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 LIPG 4193/4885LPL 3886/4885P4HB 2250/4885

“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.