SCHEMBL2057435

SCHEMBL2057435

COC=CC=C1C(=O)c2ccccc2S1(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
GPR3 P46089 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAOA P21397 3/20 0.38
ALPL P05186 2/20 0.36
ALPI P09923 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CHEK1 O14757 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2057166 1.00 ESR1 (0.48) ESR1ESR2GPR3MEN1KMT2A
SCHEMBL2057436 1.00 ESR1 (0.48) ESR1ESR2GPR3MEN1KMT2A
SCHEMBL4496627 1.00 ESR1 (0.48) ESR1ESR2GPR3MEN1KMT2A
SCHEMBL12935854 0.80 ESR1 (0.55) ESR1ESR2GPR3MEN1KMT2A
SCHEMBL15592583 0.75 ESR1 (0.57) ESR1ESR2GPR3MEN1KMT2A
SCHEMBL12901044 0.73 ESR1 (0.43) ESR1ESR2GPR3MEN1KMT2A
SCHEMBL4567101 0.72 ESR1 (0.51) ESR1ESR2GPR3MEN1KMT2A
SCHEMBL13019511 0.72 ESR1 (0.51) ESR1ESR2GPR3MEN1KMT2A
SCHEMBL13943802 0.72 ESR1 (0.44) ESR1ESR2GPR3MEN1KMT2A
SCHEMBL12955756 0.71 ESR1 (0.53) ESR1ESR2GPR3MEN1KMT2A

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-8835632-B2 Methods to increase the photostability of dyes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-09-16 US disclosed
US-20110046000-A1 METHODS TO INCREASE THE PHOTOSTABILITY OF DYES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-24 US disclosed
US-7592188-B2 environmentally sensitive fluorescent dye covalently linked to a binding domain which has specific affinity for a target molecule; fluorescence resonance energy transfer; detecting changes in the binding, conformational change; detecting human immunodeficiency virus THE SCRIPPS RESEARCH INSTITUTE (US) 2009-09-22 US disclosed
WO-2008027075-A2 SULFHYDRYL-REACTIVE, WATER SOLUBLE DYES THE SCRIPPS RESEARCH INSTITUTE (US) 2008-03-06 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-20110046000-A1 METHODS TO INCREASE THE PHOTOSTABILITY OF DYES PTMS, ACP1, SNRPE ESR1 3063/4885ESR2 3815/4885GPR3 3232/4885

“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.