SCHEMBL3944503

SCHEMBL3944503

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)NCCCc4ccccc4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.51
BRD4 O60885 1/20 0.49
IKBKB O14920 1/20 0.42
RAB9A P51151 1/20 0.41
POLB P06746 5/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTPN5 P54829 1/20 0.40
NR1I2 O75469 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL3944908 0.95 SERPINE1 (0.52) SERPINE1BRD4IKBKBRAB9APOLB
SCHEMBL3943906 0.91 SERPINE1 (0.48) SERPINE1BRD4IKBKBRAB9APOLB
SCHEMBL3945864 0.90 BRD4 (0.52) SERPINE1BRD4IKBKBPOLBMEN1
SCHEMBL3942147 0.90 BRD4 (0.52) SERPINE1BRD4IKBKBPOLBMEN1
SCHEMBL3942021 0.90 BRD4 (0.54) SERPINE1BRD4IKBKBPOLBMEN1
SCHEMBL3942619 0.90 SERPINE1 (0.49) SERPINE1BRD4RAB9APOLBMAPT
SCHEMBL3945416 0.90 BRD4 (0.48) SERPINE1BRD4IKBKBPOLBMEN1
SCHEMBL3941848 0.90 BRD4 (0.51) SERPINE1BRD4IKBKBPOLBMEN1
SCHEMBL3947473 0.89 BRD4 (0.47) SERPINE1BRD4IKBKBPOLBMEN1
SCHEMBL3948702 0.89 BRD4 (0.50) SERPINE1BRD4IKBKBRAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009019135-A1 FLUORESCENT WHITENING NANOPARTICLES BASF SE (CH) 2009-02-12 WO claimed
US-20070225184-A1 Amphoteric Fluorescent Whitening Agents in Detergent Formulations CIBA SPECIALITY CHEMICALS HOLDING INC. (CH) 2007-09-27 US claimed
US-20050161184-A1 Amphoteric and cationic fluorescent whitening agents CIBA SPECIALTY CHEMICALS CORP. 2005-07-28 US claimed
EP-1485361-A1 AMPHOTERIC AND CATIONIC FLUORESCENT WHITENING AGENTS Ciba SC Holding AG (CH) 2004-12-15 EP claimed
WO-2003078406-A1 AMPHOTERIC AND CATIONIC FLUORESCENT WHITENING AGENTS CIBA SPECIALTY CHEMICALS HOLDING INC. (US) 2003-09-25 WO claimed
WO-2009019135-A1 FLUORESCENT WHITENING NANOPARTICLES BASF SE (CH) 2009-02-12 WO disclosed
US-20070225184-A1 Amphoteric Fluorescent Whitening Agents in Detergent Formulations CIBA SPECIALITY CHEMICALS HOLDING INC. (CH) 2007-09-27 US disclosed
EP-1802572-A1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE Bayer Schering Pharma Aktiengesellschaft (DE) 2007-07-04 EP disclosed
WO-2006032541-A1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-03-30 WO disclosed
US-20050161184-A1 Amphoteric and cationic fluorescent whitening agents CIBA SPECIALTY CHEMICALS CORP. 2005-07-28 US disclosed
US-20050161184-A1 Amphoteric and cationic fluorescent whitening agents CIBA SPECIALTY CHEMICALS CORP. 2005-07-28 US disclosed
EP-1485361-A1 AMPHOTERIC AND CATIONIC FLUORESCENT WHITENING AGENTS Ciba SC Holding AG (CH) 2004-12-15 EP disclosed
EP-1485361-A1 AMPHOTERIC AND CATIONIC FLUORESCENT WHITENING AGENTS Ciba SC Holding AG (CH) 2004-12-15 EP disclosed
WO-2003078406-A8 AMPHOTERIC AND CATIONIC FLUORESCENT WHITENING AGENTS CIBA SC HOLDING AG (US) 2004-01-15 WO disclosed
WO-2003078406-A1 AMPHOTERIC AND CATIONIC FLUORESCENT WHITENING AGENTS CIBA SPECIALTY CHEMICALS HOLDING INC. (US) 2003-09-25 WO disclosed
WO-2003078406-A1 AMPHOTERIC AND CATIONIC FLUORESCENT WHITENING AGENTS CIBA SPECIALTY CHEMICALS HOLDING INC. (US) 2003-09-25 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-20050161184-A1 Amphoteric and cationic fluorescent whitening agents C3AR1, C1R, AOC3 SERPINE1 4547/4885BRD4 3168/4885IKBKB 4681/4885

“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.