SCHEMBL2005244

SCHEMBL2005244

CCOC(CC[N+]1=C(C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21)OCC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL12230266 0.90 MEN1 (0.40) LMNATDP1MEN1MAPTTHRB
SCHEMBL20390481 0.84 MEN1 (0.59) LMNATDP1MEN1MAPTTHRB
SCHEMBL2722684 0.81 MAPT (0.40) LMNATDP1MEN1MAPTTHRB
SCHEMBL7750100 0.80 LMNA (0.47) LMNATDP1MEN1MAPTTHRB
SCHEMBL41357 0.80 LMNA (0.63) LMNATDP1MEN1MAPTTHRB
SCHEMBL18386206 0.79 MAPT (0.38) LMNATDP1MEN1MAPTTHRB
SCHEMBL29949152 0.79 LMNA (0.44) LMNATDP1MEN1MAPTTHRB
SCHEMBL2536404 0.79 ALDH1A1 (0.33) TDP1KMT2A
SCHEMBL2010886 0.78 MEN1 (0.40) LMNATDP1MEN1MAPTTHRB
SCHEMBL18386212 0.78 LMNA (0.38) LMNATDP1MEN1MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044203-B2 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2011-10-25 US disclosed
US-7964361-B2 Rigidized trimethine cyanine dyes CARNEGIE MELLON UNIVERSITY (US) 2011-06-21 US disclosed
EP-2258776-A1 Fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2010-12-08 EP disclosed
US-20100267008-A1 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS CARNEGIE MELLON UNIVERSITY (US) 2010-10-21 US disclosed
US-20090281279-A1 Rigidized trimethine cyanine dyes CARNEGIE MELLON UNIVERSITY (US) 2009-11-12 US disclosed
US-7615646-B2 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2009-11-10 US disclosed
US-7408062-B2 Rigidized trimethine cyanine dyes CARNEGIE MELLON UNIVERSITY (US) 2008-08-05 US disclosed
US-20070243527-A9 RIGIDIZED TRIMETHINE CYANINE DYES CARNEGIE MELLON UNIVERSITY 2007-10-18 US disclosed
US-20060051758-A1 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-03-09 US disclosed
EP-1525265-A4 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS UNIV CARNEGIE MELLON (US) 2005-06-22 EP disclosed
EP-1525265-A2 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS CARNEGIE-MELLON UNIVERSITY (US) 2005-04-27 EP disclosed
WO-2004039894-A2 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS CARNEGIE MELLON UNIVERSITY (US) 2004-05-13 WO disclosed
US-6686145-B1 IMPARTING FLUORESCENT PROPERTIES TO TARGET MATERIALS BY COVALENT AND NONCOVALENT ASSOCIATION CARNEGIE MELLON UNIVERSITY 2004-02-03 US disclosed
US-20030224391-A1 Rigidized trimethine cyanine dyes CARNEGIE MELLON UNIVERSITY 2003-12-04 US disclosed
EP-1042407-B1 RIGIDIZED TRIMETHINE CYANINE DYES UNIV CARNEGIE MELLON (US) 2001-09-12 EP disclosed
US-6133445-A USEFUL FOR IMPARTING FLUORESCENT PROPERTIES TO TARGET MATERIALS CARNEGIE MELLON UNIVERSITY (US) 2000-10-17 US disclosed
EP-1042407-A1 RIGIDIZED TRIMETHINE CYANINE DYES CARNEGIE-MELLON UNIVERSITY (US) 2000-10-11 EP disclosed
WO-1999031181-A1 RIGIDIZED TRIMETHINE CYANINE DYES CARNEGIE MELLON UNIVERSITY (US) 1999-06-24 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 (5 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-20070243527-A9 RIGIDIZED TRIMETHINE CYANINE DYES SIGMAR1, CBR1, NR0B1 LMNA 3893/4885TDP1 2590/4885MEN1 3950/4885
US-20060051758-A1 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups IDO1, TDO2, IDO2 LMNA 2341/4885TDP1 2198/4885MEN1 3227/4885
US-20090281279-A1 Rigidized trimethine cyanine dyes CD47, TLN1, TPM4 LMNA 1516/4885TDP1 300/4885MEN1 3776/4885
US-20100267008-A1 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS IDO1, IDO2, INMT LMNA 1859/4885TDP1 3157/4885MEN1 1716/4885
US-20030224391-A1 Rigidized trimethine cyanine dyes CBR1, TH, CBR3 LMNA 3068/4885TDP1 1728/4885MEN1 4371/4885

“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.