SCHEMBL5113054

SCHEMBL5113054

CCCCN(C(=O)CCCCBr)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.62
NPC1 O15118 1/20 0.57
JAK2 O60674 1/20 0.57
RAB9A P51151 1/20 0.57
PAX8 Q06710 1/20 0.57
LTB4R2 Q9NPC1 8/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
MLYCD O95822 1/20 0.50
ALDH1A1 P00352 3/20 0.47
ADRB2 P07550 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 1/20 0.47
AGTR1 P30556 1/20 0.46
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL2069520 0.91 TP53 (0.70) TP53NPC1JAK2RAB9APAX8
SCHEMBL29266757 0.86 NPC1 (0.75) TP53NPC1JAK2RAB9APAX8
SCHEMBL3772286 0.86 TP53 (0.83) TP53NPC1JAK2RAB9APAX8
SCHEMBL4167183 0.84 TP53 (0.64) TP53NPC1JAK2RAB9APAX8
SCHEMBL4161699 0.82 NPC1 (0.65) TP53NPC1JAK2RAB9APAX8
SCHEMBL4159010 0.82 NPC1 (0.65) TP53NPC1JAK2RAB9APAX8
SCHEMBL4170594 0.82 NPC1 (0.65) TP53NPC1JAK2RAB9APAX8
SCHEMBL4158350 0.82 TP53 (0.66) TP53NPC1JAK2RAB9APAX8
SCHEMBL4168776 0.82 TP53 (0.66) TP53NPC1JAK2RAB9APAX8
SCHEMBL16627492 0.81 TP53 (0.70) TP53NPC1JAK2RAB9APAX8

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-8273740-B2 antiallergen; not direct way to change nature of immunological response to allergen; G-protein-coupled \"chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)\" antagonist for prostaglandin PGD2, that mediates PGD2-dependent migration of blood Th2 cells; ; asthma, rhinitis, COPD ACTELION PHARMACEUTICALS, LTD. (CH) 2012-09-25 US disclosed
CN-101052397-B 2-sulfanyl-benzoimidazol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS LTD 2011-07-06 CN disclosed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 US disclosed
CN-101052397-A 2-sulfanyl-benzoimidazol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS LTD (CH) 2007-10-10 CN disclosed
EP-1784182-A1 2-SULFANYL-BENZIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-05-16 EP disclosed
CN-1297554-C Amido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2007-01-31 CN disclosed
US-7115622-B2 Amido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-10-03 US disclosed
WO-2006021418-A1 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO disclosed
US-20050143413-A1 Amido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-06-30 US disclosed
US-20040157874-A1 Amido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-08-12 US disclosed
US-20040067975-A1 Amido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-04-08 US disclosed
CN-1487939-A Amido ether substituted imidazoquinolines 3M 2004-04-07 CN disclosed
US-6664265-B2 Amido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 US disclosed
US-6660747-B2 Contain ether and amide functionality at the 1-position; useful as immune response modifiers and can induce biosynthesis of various cytokines; useful in treatment of viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2003-12-09 US disclosed
US-20030187016-A1 Amido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-10-02 US disclosed
EP-1341792-A2 AMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2003-09-10 EP disclosed
US-20030096835-A1 Amido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-05-22 US disclosed
WO-2002046188-A2 AMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 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 (6 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-20030187016-A1 Amido ether substituted imidazoquinolines IFNG, IRF3, EIF2AK2 TP53 279/4885NPC1 2650/4885JAK2 70/4885
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists HRH2, HRH1, HRH3 TP53 3872/4885NPC1 4454/4885JAK2 740/4885
US-20050143413-A1 Amido ether substituted imidazoquinolines IFNG, IRF3, EIF2AK2 TP53 279/4885NPC1 2650/4885JAK2 70/4885
US-20040157874-A1 Amido ether substituted imidazoquinolines IFNG, IRF3, EIF2AK2 TP53 279/4885NPC1 2650/4885JAK2 70/4885
US-20040067975-A1 Amido ether substituted imidazoquinolines IFNG, IRF3, EIF2AK2 TP53 279/4885NPC1 2650/4885JAK2 70/4885
US-20030096835-A1 Amido ether substituted imidazoquinolines IFNG, IRF3, EIF2AK2 TP53 279/4885NPC1 2650/4885JAK2 70/4885

“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.