Pittsburgh Compound B

Pittsburgh Compound B

SCHEMBL2055285

[11CH3]Nc1ccc(-c2nc3ccc(O)cc3s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APP P05067 19/20 1.00
SULT1A1 P50225 3/20 1.00
MAPT P10636 2/20 1.00
SNCA P37840 1/20 0.72

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
Pittsburgh Compound B SCHEMBL29360193 1.00 APP (1.00) APPSULT1A1MAPTSNCA
Pittsburgh Compound B Unlabelled SCHEMBL912744 1.00 APP (1.00) APPSULT1A1MAPTSNCA
Pittsburgh Compound B Unlabelled SCHEMBL29409766 1.00 APP (1.00) APPSULT1A1MAPTSNCA
SCHEMBL12421903 0.92 APP (0.85) APPSULT1A1MAPTSNCA
Pittsburgh Compound B Unlabelled SCHEMBL2055283 0.90 APP (0.82) APPSULT1A1MAPTSNCA
SCHEMBL5423269 0.86 APP (0.81) APPSULT1A1MAPT
SCHEMBL19372620 0.85 APP (0.73) APPSULT1A1MAPTSNCA
SCHEMBL178156 0.84 APP (1.00) APPSULT1A1MAPTSNCA
SCHEMBL2628262 0.84 APP (1.00) APPSULT1A1MAPTSNCA
SCHEMBL2922465 0.83 APP (0.72) APPSULT1A1MAPTSNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130266513-A1 IMAGING OF MENINGIOMAS USING PHINGYLBENZOTHIAZOLE, STILBENE, OR BIPHENYLALKYNE DERIVATIVES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2013-10-10 US disclosed
US-20120302603-A1 AMYLOID BINDING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-29 US disclosed
US-20120263646-A1 IMAGING AGENTS AND THEIR USE FOR THE DIAGNOSTIC IN VIVO OF NEURODEGENERATIVE DISEASES, NOTABLY ALZHEIMER'S DISEASE AND DERIVATIVE DISEASES GUERBET (FR) 2012-10-18 US disclosed
US-20120214994-A1 (3-FLUORO-2-HYDROXY)PROPYL-FUNCTIONALIZED ARYL DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR THE DIAGNOSIS OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASES FUTURECHEM CO., LTD. (KR) 2012-08-23 US disclosed
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles ASTRAZENECA AB (SE) 2012-08-16 US disclosed
US-8163928-B2 Heteroaryl substituted benzothiazoles ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-20110250136-A1 FLUORINATED BENZOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND IMAGING AGENT FOR DIAGNOSING ALTZHEIMER'S DISEASE USING THE SAME SNU R&DB FOUNDATION (KR) 2011-10-13 US disclosed
US-20110008254-A1 RADIOPHARMACEUTICAL COMPOSITION GE HEALTHCARE LIMITED (GB) 2011-01-13 US disclosed
US-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. 2009-01-29 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 (8 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-20110008254-A1 RADIOPHARMACEUTICAL COMPOSITION SSTR3, SSTR5, SGMS1 APP 812/4885SULT1A1 754/4885MAPT 1418/4885
US-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles APP, MAPT, PSEN1 APP 1/4885SULT1A1 439/4885MAPT 2/4885
US-20120302603-A1 AMYLOID BINDING AGENTS APP, APBA1, PSEN1 APP 1/4885SULT1A1 4621/4885MAPT 6/4885
US-20110250136-A1 FLUORINATED BENZOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND IMAGING AGENT FOR DIAGNOSING ALTZHEIMER'S DISEASE USING THE SAME APBA1, APP, PSEN1 APP 2/4885SULT1A1 594/4885MAPT 5/4885
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles MAPT, APP, PSEN1 APP 2/4885SULT1A1 427/4885MAPT 1/4885
US-20120214994-A1 (3-FLUORO-2-HYDROXY)PROPYL-FUNCTIONALIZED ARYL DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR THE DIAGNOSIS OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASES APP, FABP7, SLC3A2 APP 1/4885SULT1A1 2061/4885MAPT 40/4885
US-20120263646-A1 IMAGING AGENTS AND THEIR USE FOR THE DIAGNOSTIC IN VIVO OF NEURODEGENERATIVE DISEASES, NOTABLY ALZHEIMER'S DISEASE AND DERIVATIVE DISEASES SNCA, PSEN2, CLN6 APP 10/4885SULT1A1 4643/4885MAPT 4/4885
US-20130266513-A1 IMAGING OF MENINGIOMAS USING PHINGYLBENZOTHIAZOLE, STILBENE, OR BIPHENYLALKYNE DERIVATIVES MEN1, BPHL, PSEN2 APP 65/4885SULT1A1 2537/4885MAPT 224/4885

“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.