SCHEMBL551972

SCHEMBL551972

O=C1CCOc2cc(OS(=O)(=O)C(F)(F)F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 0.55
GRM5 P41594 9/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
NFKB1 P19838 1/20 0.55
RAB9A P51151 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAOA P21397 1/20 0.50

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
SCHEMBL29545411 0.92 MAOB (0.47) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL24357848 0.92 MAOB (0.47) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL6087253 0.89 MAOB (0.43) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL16499631 0.86 MAOB (0.53) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL13506366 0.81 GRM5 (0.58) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL6265978 0.81 DRD2 (0.43) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL15205858 0.78 MAOB (0.39) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL16856551 0.78 STS (0.40) MAOBALDH1A1HPGDMAOA
SCHEMBL4157926 0.78 MAOB (0.57) MAOBGRM5MAOA
SCHEMBL13506182 0.78 MAOB (0.63) MAOBGRM5NPC1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104045632-B Antineoplastic benzodihydropyran (thiapyran) amides compound and pharmaceutically acceptable salt thereof and preparation method and application 辽宁大学 2016-09-07 CN disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
CN-104045632-A Antitumor drugs benzodihydropyran(thiapyran)amide compounds and pharmaceutically acceptable salts, and preparation method and application thereof UNIV LIAONING 2014-09-17 CN disclosed
EP-2597089-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-29 EP disclosed
EP-2493866-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2012-09-05 EP disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 US disclosed
WO-2004092116-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF AMGEN, INC. (US) 2004-10-28 WO disclosed
WO-2004092164-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ AMGEN, INC. (US) 2004-10-28 WO disclosed
EP-1196411-B1 BRADYKININ B1 RECEPTOR ANTAGONISTS PHARMACOPEIA INC (US) 2003-09-17 EP disclosed
EP-1270000-A2 Benzoic acid substituted benzopyrans for the treatment of atherosclerosis Pfizer Products Inc. (US) 2003-01-02 EP disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
EP-1196411-A1 BRADYKININ B1 RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2002-04-17 EP disclosed
WO-2001005783-A1 BRADYKININ B1 RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2001-01-25 WO disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 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 (2 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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 MAOB 247/4885GRM5 1126/4885NPC1 465/4885
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R MAOB 2549/4885GRM5 799/4885NPC1 936/4885

“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.