SCHEMBL11599622

SCHEMBL11599622

O=S(=O)(O)c1cc(Nc2nc(Cl)nc(Nc3ccccc3)n2)ccc1/C=C/c1ccc(Nc2nc(Cl)nc(Nc3ccccc3)n2)cc1S(=O)(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.54
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
CA9 Q16790 5/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
NFKB1 P19838 1/20 0.50
CHAT P28329 3/20 0.48
USP2 O75604 1/20 0.48
APEX1 P27695 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.48
ENPP3 O14638 1/20 0.47
ENPP1 P22413 1/20 0.47
HPGDS O60760 1/20 0.46
P2RX7 Q99572 1/20 0.44
P2RX2 Q9UBL9 1/20 0.44

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
SCHEMBL2200140 1.00 CA12 (0.54) CA12CA1CA2CA9MEN1
SCHEMBL11879462 0.99 CA12 (0.53) CA12CA1CA2CA9MEN1
SCHEMBL1536252 0.99 CA12 (0.53) CA12CA1CA2CA9MEN1
SCHEMBL1536256 0.99 CA12 (0.56) CA12CA1CA2CA9MEN1
Potassium SCHEMBL2203007 0.99 CA12 (0.53) CA12CA1CA2CA9MEN1
SCHEMBL2222015 0.98 CA12 (0.52) CA12CA1CA2CA9MEN1
Potassium SCHEMBL2203859 0.98 CA12 (0.55) CA12CA1CA2CA9MEN1
SCHEMBL15893991 0.95 CA12 (0.50) CA12CA1CA2CA9MEN1
SCHEMBL17550070 0.95 CA12 (0.50) CA12CA1CA2CA9MEN1
SCHEMBL17550065 0.94 CA12 (0.52) CA12CA1CA2CA9MEN1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10383960-B2 Small molecule imaging of fungi by positron emission tomography scanning THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-08-20 US disclosed
US-9968693-B2 Small molecule imaging of fungi by positron emission tomography scanning THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-05-15 US disclosed
US-9487503-B2 Stilbene optical brighteners 3V SIGMA S.P.A. (IT) 2016-11-08 US disclosed
US-20160287729-A1 SMALL MOLECULE IMAGING OF FUNGI BY POSITRON EMISSION TOMOGRAPHY SCANNING THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2016-10-06 US disclosed
US-9376405-B2 Bis-(triazinylamino)-stilbene derivatives CLARIANT INTERNATIONAL LTD (CH) 2016-06-28 US disclosed
EP-2933253-A1 STILBENE OPTICAL BRIGHTENERS 3V SIGMA S.p.A (IT) 2015-10-21 EP disclosed
US-9089134-B2 Targeting delivery of anti-fungal agents EDH BIOTECH CORP (US) 2015-07-28 US disclosed
US-9089134-B2 Targeting delivery of anti-fungal agents EDH BIOTECH CORP (US) 2015-07-28 US disclosed
US-20150037396-A1 Targeted Delivery of Anti-Fungal Agents EDH BIOTECH CORP 2015-02-05 US disclosed
US-20150037396-A1 Targeted Delivery of Anti-Fungal Agents EDH BIOTECH CORP 2015-02-05 US disclosed
US-20140203212-A1 FLUORESCENT WHITENING AGENT AQUEOUS SOLUTIONS 3V SIGMA S.P.A (IT) 2014-07-24 US disclosed
US-20140142305-A1 NOVEL BIS-(TRIAZINYLAMINO)-STILBENE DERIVATIVES CLARIANT INTERNATIONAL LTD (CH) 2014-05-22 US disclosed
US-20080260667-A1 Use of halogenated hydroxydiphenyl ether compounds for the treatment of the skin BASCHONG WERNER 2008-10-23 US disclosed
EP-1237536-B1 THE USE OF FLUORESCENT WHITENING AGENTS CIBA SC HOLDING AG (CH) 2007-11-14 EP disclosed
US-20070260060-A1 Amphoteric fluorescent whitening agents SCHEFFLER GOETZ 2007-11-08 US disclosed
US-7247174-B2 Amphoteric fluorescent whitening agents CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-07-24 US disclosed
US-7198731-B2 Optical brighteners CLARIANT FINANCE (BVI) LIMITED (VG) 2007-04-03 US disclosed
US-4092243-A CONTAINING TRIAZINE RINGS, SELECTIVE ABSORPTION OF HYDROCARBONS BAYER AKTIENGESELLSCHAFT (DT) 1978-05-30 US disclosed
US-4005026-A Detergent compositions containing novel crystalline forms of optical brighteners STERLING DRUG INC. (US) 1977-01-25 US disclosed
US-3957728-A MODIFIED WITH S-TRIAZINES; ABSORBENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 US 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 (7 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-20070260060-A1 Amphoteric fluorescent whitening agents NCL, NCSTN, APLNR CA12 142/4885CA1 392/4885CA2 251/4885
US-20150037396-A1 Targeted Delivery of Anti-Fungal Agents ALG1, MANBA, ERG28 CA12 328/4885CA1 2108/4885CA2 1023/4885
US-20160287729-A1 SMALL MOLECULE IMAGING OF FUNGI BY POSITRON EMISSION TOMOGRAPHY SCANNING NAT1, ARSA, TST CA12 219/4885CA1 175/4885CA2 229/4885
US-20140203212-A1 FLUORESCENT WHITENING AGENT AQUEOUS SOLUTIONS TYR, ALK, MAP7 CA12 3421/4885CA1 4437/4885CA2 3345/4885
US-20140142305-A1 NOVEL BIS-(TRIAZINYLAMINO)-STILBENE DERIVATIVES TSN, SMARCB1, TXLNA CA12 3610/4885CA1 4714/4885CA2 4354/4885
US-10383960-B2 Small molecule imaging of fungi by positron emission tomography scanning NAT1, ARSA, TST CA12 218/4885CA1 172/4885CA2 223/4885
US-20080260667-A1 Use of halogenated hydroxydiphenyl ether compounds for the treatment of the skin MC1R, TYR, MC3R CA12 4027/4885CA1 4302/4885CA2 1991/4885

“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.